data_1gh9_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 1gh9 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 17' ' ' GLU . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.596 HG21 ' N ' ' A' ' 5' ' ' PHE . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB1' HG11 ' A' ' 51' ' ' VAL . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.729 ' HA ' HG22 ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.669 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG21 HG12 ' A' ' 4' ' ' ILE . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 52' ' ' ARG . 8.0 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.603 ' H3 ' ' HE1' ' A' ' 1' ' ' MET . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.806 HG21 ' HA ' ' A' ' 17' ' ' GLU . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.593 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD1' HG23 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.806 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 5' ' ' PHE . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.698 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HD2' ' HZ3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.544 HG22 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG23 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.807 HD13 ' HB1' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.608 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.507 ' HD2' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.769 ' HA ' HG23 ' A' ' 3' ' ' ILE . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.807 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 5' ' ' PHE . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.794 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.573 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.794 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.556 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.556 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 47' ' ' ALA . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' HD2' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.725 HD11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.72 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 10' ' ' GLY . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.72 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' ILE . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG3' ' HD2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.568 HG23 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.655 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.64 ' HG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.673 ' HA ' HG22 ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' HG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.655 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE2' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.748 HG23 ' HA ' ' A' ' 17' ' ' GLU . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 39' ' ' GLY . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.635 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB1' HG12 ' A' ' 51' ' ' VAL . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.748 ' HA ' HG23 ' A' ' 3' ' ' ILE . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.552 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.661 HG12 ' HB1' ' A' ' 12' ' ' ALA . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.636 HE21 HG13 ' A' ' 51' ' ' VAL . 41.2 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 17' ' ' GLU . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' PHE . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.445 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.676 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' ARG . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 20' ' ' LYS . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.583 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' HB2' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.734 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' GLY . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.734 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' PHE . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.654 ' HA ' HG23 ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' ARG . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.563 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 4' ' ' ILE . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.821 HD13 ' HB1' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.749 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 5' ' ' PHE . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB1' HD23 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD23 ' HB1' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG22 HG12 ' A' ' 4' ' ' ILE . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.51 HG23 ' HA ' ' A' ' 17' ' ' GLU . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.612 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.509 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.51 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.517 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG12 ' HD2' ' A' ' 5' ' ' PHE . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HB1' HD23 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG23 HG12 ' A' ' 4' ' ' ILE . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.775 HG21 ' HA ' ' A' ' 17' ' ' GLU . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.594 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.614 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.775 ' HA ' HG21 ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HD12 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.706 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.548 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 4' ' ' ILE . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 HG12 ' A' ' 4' ' ' ILE . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 50' ' ' LEU . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.533 ' HE2' ' H3 ' ' A' ' 1' ' ' MET . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.845 HD13 ' HB2' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.622 HD11 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.598 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.619 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 10' ' ' GLY . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.402 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' HG23 ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.672 HG23 HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 4' ' ' ILE . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.542 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.782 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.588 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' HG12 ' A' ' 30' ' ' VAL . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 HD12 HG23 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.697 ' HA ' HG22 ' A' ' 3' ' ' ILE . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.72 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' H ' HG21 ' A' ' 25' ' ' VAL . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.782 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.532 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HB2' HD23 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.684 HD23 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.635 HG22 ' HA ' ' A' ' 17' ' ' GLU . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.635 ' HA ' HG22 ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.686 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.591 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.535 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.686 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB3' HD23 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' ALA . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.474 ' HB ' HG21 ' A' ' 37' ' ' ILE . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.599 HG21 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.599 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.658 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.658 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' ARG . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HB3' ' H ' ' A' ' 36' ' ' ARG . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' O ' HD11 ' A' ' 4' ' ' ILE . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.445 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.659 ' HB2' HD23 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD23 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.748 HG12 ' HB2' ' A' ' 12' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 2.9 mm100 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.472 ' HE1' ' HD3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 17' ' ' GLU . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.566 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.734 ' HA ' HG21 ' A' ' 3' ' ' ILE . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG12 ' HD2' ' A' ' 5' ' ' PHE . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.495 ' H ' ' HB2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HD3' ' HE1' ' A' ' 1' ' ' MET . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 2' ' ' TYR . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 44' ' ' PHE . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 4' ' ' ILE . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 17' ' ' GLU . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.604 HG12 HG21 ' A' ' 51' ' ' VAL . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.808 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.808 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.664 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.664 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.639 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.499 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.499 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.604 HG21 HG12 ' A' ' 4' ' ' ILE . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.817 HG21 ' HA ' ' A' ' 17' ' ' GLU . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.605 HG21 ' N ' ' A' ' 5' ' ' PHE . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 5' ' ' PHE . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.747 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' HG21 ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.587 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.549 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' HD23 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 14' ' ' TYR . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 HD11 ' CG2' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.66 HD13 ' HB1' ' A' ' 19' ' ' ALA . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.61 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.61 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.689 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.773 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 2' ' ' TYR . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HD13 ' A' ' 4' ' ' ILE . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 17' ' ' GLU . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.688 HG23 ' HD1' ' A' ' 38' ' ' PHE . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.632 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 30' ' ' VAL . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.763 ' HA ' HG23 ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 5' ' ' PHE . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.692 ' HB ' HD13 ' A' ' 37' ' ' ILE . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.439 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.692 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' HD1' HG23 ' A' ' 4' ' ' ILE . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 17' ' ' GLU . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.596 HG21 ' N ' ' A' ' 5' ' ' PHE . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.596 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB1' HG11 ' A' ' 51' ' ' VAL . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.729 ' HA ' HG22 ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.669 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.669 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG21 HG12 ' A' ' 4' ' ' ILE . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.552 HE21 ' HA ' ' A' ' 52' ' ' ARG . 8.0 mt-30 -67.25 -171.83 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.19 52.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.014 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.88 119.4 20.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -81.36 26.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 127.73 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.16 -53.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.51 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.59 79.56 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.89 -41.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.3 -78.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -97.54 144.08 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.05 146.98 72.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.96 -39.46 70.85 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.523 2.149 . . . . 0.0 112.245 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 p -82.91 0.05 46.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -88.64 -113.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.789 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.484 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 20.9 mtt180 -83.37 -62.4 1.6 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.989 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.603 ' H3 ' ' HE1' ' A' ' 1' ' ' MET . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.806 HG21 ' HA ' ' A' ' 17' ' ' GLU . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.593 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.593 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD1' HG23 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.806 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 5' ' ' PHE . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.698 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HD2' ' HZ3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG22 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD13 ' HB1' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG23 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 -67.98 -170.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.23 99.15 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.59 141.59 42.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.48 169.05 18.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.015 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.84 48.85 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 -39.95 3.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HG ' ' H ' ' A' ' 62' ' ' CYS . 1.4 t -88.9 -166.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' H ' ' HG ' ' A' ' 61' ' ' SER . 1.7 m -72.26 149.79 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -100.15 -7.44 24.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 133.7 35.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.63 150.2 20.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.93 150.79 92.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.38 -41.98 18.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.505 2.137 . . . . 0.0 112.352 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 p -82.57 -4.12 57.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -88.63 86.94 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 76.63 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.807 HD13 ' HB1' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.608 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.507 ' HD2' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.769 ' HA ' HG23 ' A' ' 3' ' ' ILE . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.807 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 5' ' ' PHE . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.794 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.573 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.794 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.556 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.556 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 47' ' ' ALA . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' HD2' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 -67.72 -174.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 99.82 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.874 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -74.7 129.62 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -78.96 -160.65 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.987 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -88.67 -65.65 1.0 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.9 114.46 0.3 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.604 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -88.67 -162.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.98 -151.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.13 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.32 40.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 70.96 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.899 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 17.4 m-80 -66.68 152.4 95.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.725 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.19 -40.82 82.39 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.56 2.174 . . . . 0.0 112.118 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -25.49 32.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.899 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 13.7 mtpt -88.54 91.1 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.61 144.05 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.998 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.725 HD11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.596 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.72 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 10' ' ' GLY . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.72 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' ILE . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.516 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HG3' ' HD2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.568 HG23 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 -66.89 -165.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.85 71.15 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.06 128.71 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -78.71 142.65 36.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -89.04 118.54 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.43 -37.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.1 t -89.5 122.59 32.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -126.66 131.01 51.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.52 -60.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.84 166.08 9.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -96.89 122.05 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.38 150.63 97.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.07 -39.78 89.2 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -82.54 -15.22 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 129.44 35.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -66.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.95 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.655 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.64 ' HG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.673 ' HA ' HG22 ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.64 HG22 ' HG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.655 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 -66.53 -170.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.72 76.98 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.971 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.84 163.46 26.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -174.1 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -88.76 80.41 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.73 -15.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.413 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -88.85 175.97 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 p -68.14 164.25 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -179.51 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -78.68 114.96 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 68' ' ' SER . 0.4 OUTLIER -96.63 -60.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.574 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -67.71 166.95 18.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.658 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' A' ' 66' ' ' ASN . 3.5 Cg_exo -77.86 22.52 4.22 Favored 'Cis proline' 0 C--N 1.354 0.844 0 C-N-CA 124.443 -1.065 . . . . 0.0 112.837 2.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.574 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 17.6 m -81.12 -61.05 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.27 135.69 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.81 75.22 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.989 0.423 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE2' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.748 HG23 ' HA ' ' A' ' 17' ' ' GLU . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 39' ' ' GLY . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.635 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.635 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.661 ' HB1' HG12 ' A' ' 51' ' ' VAL . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.748 ' HA ' HG23 ' A' ' 3' ' ' ILE . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' HB ' HD13 ' A' ' 37' ' ' ILE . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.552 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.614 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.661 HG12 ' HB1' ' A' ' 12' ' ' ALA . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.636 HE21 HG13 ' A' ' 51' ' ' VAL . 41.2 mt-30 -68.22 -176.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.28 50.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 165.58 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 165.51 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -89.85 8.87 29.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.53 60.75 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.43 159.24 18.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -46.52 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.96 136.25 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -77.38 105.26 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -96.6 73.99 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 1.4 m-80 -85.27 146.37 44.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 66' ' ' ASN . 36.7 Cg_exo -60.95 -50.91 5.39 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -82.86 13.64 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 66' ' ' ASN . 2.0 ttmm -88.9 133.2 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 47.63 1.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.914 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.676 HG21 ' HA ' ' A' ' 17' ' ' GLU . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' PHE . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.445 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.676 ' HA ' HG21 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 22' ' ' ARG . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 20' ' ' LYS . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.583 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 -67.12 -167.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.0 56.54 1.99 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.166 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.47 155.89 31.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -79.3 132.58 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -75.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 -30.63 2.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.654 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -88.82 9.34 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.8 m -75.59 -172.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.07 -35.26 80.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.001 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.17 117.17 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 t -97.6 178.68 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 9.9 m120 -84.02 144.57 44.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 -41.75 73.93 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.613 2.209 . . . . 0.0 112.369 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -81.96 -21.44 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.716 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 16.3 mttm -89.58 63.74 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 137.43 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.934 -179.839 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' HB2' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.615 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.734 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' GLY . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.734 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' PHE . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.654 ' HA ' HG23 ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' ARG . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.563 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.618 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' HB3' HD13 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 4' ' ' ILE . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 -68.77 171.06 8.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.07 39.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.65 153.19 35.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.03 -166.71 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.41 176.57 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.96 -73.97 0.47 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.646 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 m -88.21 136.62 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.23 -5.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 56.89 88.82 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.95 101.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 m -96.88 103.3 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.728 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 11.1 m120 -65.51 148.14 98.25 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.14 -39.02 72.86 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.173 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.08 -10.35 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.76 168.84 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -82.58 166.86 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.821 HD13 ' HB1' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.749 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 5' ' ' PHE . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.533 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.48 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB1' HD23 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD23 ' HB1' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG22 HG12 ' A' ' 4' ' ' ILE . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -66.9 -168.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.87 72.26 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.99 141.28 40.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -79.37 158.56 27.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.05 68.74 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.5 -9.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.621 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 t -88.68 -54.64 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 33.2 m -84.7 -172.92 4.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -163.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -59.52 114.94 2.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.4 ' HB ' ' H ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -96.99 -160.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.553 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.8 166.95 8.39 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HA ' ' CB ' ' A' ' 66' ' ' ASN . 3.8 Cg_exo -79.36 25.57 3.8 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.373 -1.095 . . . . 0.0 112.83 2.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.553 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -81.63 -65.56 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.759 0.314 . . . . 0.0 110.85 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -88.81 129.43 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.46 90.77 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.804 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.51 HG23 ' HA ' ' A' ' 17' ' ' GLU . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.612 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.509 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.517 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.514 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG12 ' HD2' ' A' ' 5' ' ' PHE . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' HD13 ' A' ' 4' ' ' ILE . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.673 ' HB1' HD23 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.673 HD23 ' HB1' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG23 HG12 ' A' ' 4' ' ' ILE . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 -66.65 -163.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 19.6 tt0 -76.05 85.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 58' ' ' LYS . 1.3 tp10 -76.64 160.66 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 21.7 mttm -80.3 18.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -90.96 95.54 10.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.784 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.59 15.95 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -88.82 -50.48 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.797 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 -11.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 64.43 155.7 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -82.82 98.85 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.02 -179.39 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 144.92 37.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.8 -39.26 15.29 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.441 2.094 . . . . 0.0 112.145 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.56 1.27 38.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 100.83 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -82.56 93.98 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.947 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.775 HG21 ' HA ' ' A' ' 17' ' ' GLU . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.594 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.614 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.775 ' HA ' HG21 ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HD12 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.706 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.548 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 4' ' ' ILE . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.509 HG21 HG12 ' A' ' 4' ' ' ILE . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 50' ' ' LEU . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.93 -167.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.49 99.77 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.78 154.42 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -80.28 33.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -89.32 -14.44 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.33 13.0 21.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 t -88.28 74.26 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 153.54 21.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.53 57.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.02 107.06 19.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.569 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 9.7 t30 -75.01 132.32 77.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.94 -40.92 48.7 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.583 2.188 . . . . 0.0 112.457 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -82.91 4.63 24.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.82 112.48 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -82.51 90.31 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.898 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.533 ' HE2' ' H3 ' ' A' ' 1' ' ' MET . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.845 HD13 ' HB2' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.622 HD11 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.619 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 10' ' ' GLY . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' HG23 ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB2' HD13 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.514 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.672 HG23 HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD23 HD11 ' A' ' 4' ' ' ILE . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.542 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 -67.22 -166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.26 76.67 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.84 164.94 25.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HD3' ' HB2' ' A' ' 61' ' ' SER . 9.4 tttm -79.27 -166.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.44 -18.19 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.39 56.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.555 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB2' ' HD3' ' A' ' 58' ' ' LYS . 1.4 t -89.08 86.68 6.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.977 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -99.99 140.13 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 123.44 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.53 87.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.84 35.79 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.35 145.85 99.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.691 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.16 -42.05 72.55 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.398 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 p -82.97 -20.3 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -89.07 122.17 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.86 161.13 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.782 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.588 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' HG12 ' A' ' 30' ' ' VAL . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 HD12 HG23 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.697 ' HA ' HG22 ' A' ' 3' ' ' ILE . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.72 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' H ' HG21 ' A' ' 25' ' ' VAL . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.782 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.532 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.684 ' HB2' HD23 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.684 HD23 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 -67.57 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 2.1 tt0 -74.73 88.03 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.73 173.69 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -78.92 155.64 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -89.95 171.59 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.53 0.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.86 116.89 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.33 -29.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.45 -8.71 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -75.25 -56.37 4.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -96.88 88.08 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 5.9 m120 -63.1 152.1 84.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.02 -40.68 68.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.56 2.173 . . . . 0.0 112.174 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -12.24 57.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.652 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -89.01 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -174.45 5.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.883 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.635 HG22 ' HA ' ' A' ' 17' ' ' GLU . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' PHE . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 16' ' ' ARG . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.635 ' HA ' HG22 ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' VAL . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.686 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.591 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.535 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.686 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' HB3' HD23 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' O ' HG22 ' A' ' 51' ' ' VAL . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' ALA . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 -67.69 -171.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -78.81 102.67 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.14 156.35 33.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -78.49 137.37 37.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.054 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.76 -6.96 53.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.25 66.67 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.81 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.016 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.93 161.49 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -95.71 -1.92 48.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.007 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -73.11 -41.79 63.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 71' ' ' GLU . 22.5 m -97.48 93.41 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.6 m-80 -67.6 146.1 98.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.89 -39.8 77.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -82.3 -4.8 57.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -88.88 161.54 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.32 -88.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' HB ' HG21 ' A' ' 37' ' ' ILE . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.599 HG21 ' N ' ' A' ' 5' ' ' PHE . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.599 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.658 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.658 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' O ' HG11 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' ARG . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' HB3' ' H ' ' A' ' 36' ' ' ARG . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.535 HD12 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' O ' HD11 ' A' ' 4' ' ' ILE . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.659 ' HB2' HD23 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD23 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.748 HG12 ' HB2' ' A' ' 12' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.687 HE21 ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm100 -67.81 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG2' HE21 ' A' ' 55' ' ' GLN . 5.3 pt-20 -73.68 -142.76 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.702 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' H ' ' HB2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.86 137.85 44.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.958 -179.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 163.71 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.952 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.69 167.7 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.26 33.23 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.559 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -88.91 -69.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.63 41.68 28.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' O ' ' HE3' ' A' ' 69' ' ' LYS . 4.6 m-85 -63.09 115.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 91.79 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 7.3 m-20 -70.5 148.92 95.53 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.07 -45.71 30.15 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.539 2.159 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -82.8 1.37 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 4.0 ttmm -89.03 -91.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -82.74 -86.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' HE1' ' HD3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 17' ' ' GLU . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.566 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.734 ' HA ' HG21 ' A' ' 3' ' ' ILE . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG12 ' HD2' ' A' ' 5' ' ' PHE . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' H ' ' HB2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HD3' ' HE1' ' A' ' 1' ' ' MET . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 2' ' ' TYR . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 44' ' ' PHE . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 4' ' ' ILE . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 -67.17 -160.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' HB3' ' H ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -75.79 -146.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.32 178.087 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' H ' ' HB3' ' A' ' 56' ' ' GLU . 2.0 pt-20 -76.67 166.34 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' TYR . 5.2 ttpt -79.04 173.27 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.412 ' H ' ' HG2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -90.2 142.93 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.9 34.2 4.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.06 23.11 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -95.78 169.41 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.24 -169.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.8 -164.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.9 t -96.3 164.2 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.656 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 19.2 m-20 -62.99 142.61 97.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 -32.63 75.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.121 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.3 p -82.45 -9.0 59.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.646 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -88.61 169.82 11.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -178.33 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.878 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 17' ' ' GLU . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.604 HG12 HG21 ' A' ' 51' ' ' VAL . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.808 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.808 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.664 ' HG2' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.664 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.639 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.499 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.499 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.604 HG21 HG12 ' A' ' 4' ' ' ILE . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -67.35 -169.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.9 39.72 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.7 163.75 26.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -78.93 148.38 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -89.72 -78.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.992 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.52 4.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -176.58 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.6 m -97.77 26.38 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -79.09 -16.98 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.93 133.94 36.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.3 115.09 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 2.9 m-20 -81.26 152.99 71.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.3 -34.31 97.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.891 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.8 t -82.75 -17.84 42.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -88.62 87.45 7.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 70' ' ' ARG . 3.9 ptp180 -81.66 140.16 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.817 HG21 ' HA ' ' A' ' 17' ' ' GLU . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.605 HG21 ' N ' ' A' ' 5' ' ' PHE . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 5' ' ' PHE . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.747 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.817 ' HA ' HG21 ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.587 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.549 ' HA ' ' CB ' ' A' ' 5' ' ' PHE . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' HD23 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 14' ' ' TYR . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 HD11 ' CG2' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 -67.16 -178.82 0.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.32 96.41 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.91 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.42 160.91 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -78.74 142.59 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -178.44 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.73 10.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -88.79 -68.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 157.93 45.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.72 -80.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -68.7 147.53 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -96.37 162.18 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.023 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.54 148.73 70.41 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.19 -41.03 80.92 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.499 2.133 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -8.25 59.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -88.61 101.44 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 133.25 35.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.66 HD13 ' HB1' ' A' ' 19' ' ' ALA . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.61 HG22 ' N ' ' A' ' 5' ' ' PHE . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.61 ' N ' HG22 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' HG23 ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.689 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.689 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.773 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 2' ' ' TYR . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HD13 ' A' ' 4' ' ' ILE . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 -67.09 174.51 3.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 88.86 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.952 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.25 142.28 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 118.15 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.82 -28.09 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.58 61.12 6.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.396 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 t -89.05 -16.29 31.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.79 178.12 9.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.59 -175.0 4.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.88 -58.25 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.14 95.91 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -68.29 112.99 12.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.26 -42.54 7.49 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.633 2.222 . . . . 0.0 112.307 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.32 -32.67 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.724 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 6.3 mttp -88.36 173.01 8.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -82.39 147.77 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.039 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.763 HG23 ' HA ' ' A' ' 17' ' ' GLU . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.688 HG23 ' HD1' ' A' ' 38' ' ' PHE . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.632 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.632 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 30' ' ' VAL . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.763 ' HA ' HG23 ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 5' ' ' PHE . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.692 ' HB ' HD13 ' A' ' 37' ' ' ILE . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.648 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.439 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.692 HD13 ' HB ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' HD1' HG23 ' A' ' 4' ' ' ILE . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.515 ' HA3' HD12 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.515 HD12 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 -66.23 -171.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.75 85.62 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 11.2 tt0 -77.12 170.12 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.761 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 4.5 ttmt -79.26 131.66 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -89.91 -36.06 15.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.54 58.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.388 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.74 133.98 34.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.055 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 0.57 50.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 162.14 20.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.77 44.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -96.9 144.24 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -72.28 157.01 89.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.79 -34.8 81.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.556 2.171 . . . . 0.0 112.239 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -7.69 59.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 167.53 13.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.56 -92.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.944 179.765 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 19' ' ' ALA . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.407 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.543 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.784 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.628 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.671 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG21 ' HD2' ' A' ' 14' ' ' TYR . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 33.4 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 19' ' ' ALA . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.627 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.579 ' HD1' HG21 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 22' ' ' ARG . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.681 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HZ2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.727 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 4' ' ' ILE . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.636 ' HD1' HG21 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.754 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 28' ' ' ARG . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.804 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.688 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HD1' ' A' ' 14' ' ' TYR . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.729 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 50' ' ' LEU . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA2' HH21 ' A' ' 6' ' ' ARG . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.686 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.686 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.729 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.686 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.667 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.601 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.686 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 47' ' ' ALA . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 19' ' ' ALA . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 50' ' ' LEU . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.451 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.657 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.657 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.722 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HE ' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.648 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.652 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.722 HG21 ' HD2' ' A' ' 14' ' ' TYR . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 30.1 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.719 ' HB ' HG21 ' A' ' 37' ' ' ILE . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.43 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.613 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.479 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG23 ' C ' ' A' ' 6' ' ' ARG . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.719 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.778 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 25' ' ' VAL . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.439 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.67 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.607 HD13 HD23 ' A' ' 50' ' ' LEU . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' ALA . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.551 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.654 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HD1' HG21 ' A' ' 51' ' ' VAL . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.731 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 25' ' ' VAL . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.731 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.623 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HD1' ' A' ' 14' ' ' TYR . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.76 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.514 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.66 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' SG ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.657 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 79.9 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG2' ' HB2' ' A' ' 9' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' HH21 ' A' ' 40' ' ' ARG . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.748 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 36' ' ' ARG . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.524 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.562 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.862 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.689 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.722 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.58 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.722 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.624 ' C ' HG23 ' A' ' 30' ' ' VAL . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.688 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.688 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.831 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' C ' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.685 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HG2' HD13 ' A' ' 50' ' ' LEU . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 2.9 mm100 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.44 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.43 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.708 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 47' ' ' ALA . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 38' ' ' PHE . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.748 ' HB ' HG21 ' A' ' 37' ' ' ILE . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.816 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.691 ' HD1' HG21 ' A' ' 51' ' ' VAL . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.649 ' HG2' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.645 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.829 HG22 ' HB3' ' A' ' 7' ' ' CYS . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.537 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.748 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.462 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG21 ' HD1' ' A' ' 14' ' ' TYR . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.721 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.589 HG21 ' CD1' ' A' ' 54' ' ' LEU . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.561 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.765 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.79 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 51' ' ' VAL . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.487 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' HD21 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 47' ' ' ALA . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.589 ' CD1' HG21 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.707 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.425 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.652 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.707 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 47' ' ' ALA . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.559 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 54' ' ' LEU . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HD2' HG21 ' A' ' 51' ' ' VAL . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 7' ' ' CYS . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.661 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.661 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' HD13 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.607 HD13 ' HB1' ' A' ' 12' ' ' ALA . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 19' ' ' ALA . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.407 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.543 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.784 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.628 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.671 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG21 ' HD2' ' A' ' 14' ' ' TYR . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 33.4 mt-30 -67.25 -171.83 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.19 52.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.014 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.88 119.4 20.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -81.36 26.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 127.73 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.16 -53.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.51 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.59 79.56 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.89 -41.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.3 -78.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -97.54 144.08 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.05 146.98 72.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.96 -39.46 70.85 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.523 2.149 . . . . 0.0 112.245 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 p -82.91 0.05 46.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -88.64 -113.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.789 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 20.9 mtt180 -83.37 -62.4 1.6 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.989 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 19' ' ' ALA . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.627 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.579 ' HD1' HG21 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 22' ' ' ARG . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.681 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HZ2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.727 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 4' ' ' ILE . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 -67.98 -170.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.23 99.15 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.59 141.59 42.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.48 169.05 18.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.015 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.84 48.85 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 -39.95 3.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -88.9 -166.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.26 149.79 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -100.15 -7.44 24.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 133.7 35.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.63 150.2 20.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.93 150.79 92.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.38 -41.98 18.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.505 2.137 . . . . 0.0 112.352 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 p -82.57 -4.12 57.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -88.63 86.94 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 76.63 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.636 ' HD1' HG21 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.754 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 28' ' ' ARG . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.804 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.688 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HD1' ' A' ' 14' ' ' TYR . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 -67.72 -174.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 99.82 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.874 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -74.7 129.62 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -78.96 -160.65 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.987 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -88.67 -65.65 1.0 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.9 114.46 0.3 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.604 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -88.67 -162.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.98 -151.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.13 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.32 40.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 70.96 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.912 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 17.4 m-80 -66.68 152.4 95.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.725 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.19 -40.82 82.39 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.56 2.174 . . . . 0.0 112.118 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -25.49 32.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 13.7 mtpt -88.54 91.1 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.61 144.05 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.998 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.729 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 50' ' ' LEU . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA2' HH21 ' A' ' 6' ' ' ARG . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.686 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.686 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.729 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 -66.89 -165.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.85 71.15 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.06 128.71 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -78.71 142.65 36.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -89.04 118.54 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.43 -37.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.1 t -89.5 122.59 32.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -126.66 131.01 51.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.52 -60.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.84 166.08 9.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -96.89 122.05 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.38 150.63 97.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.07 -39.78 89.2 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -82.54 -15.22 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 129.44 35.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -66.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.95 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.686 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.667 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.601 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.686 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 47' ' ' ALA . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 -66.53 -170.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.72 76.98 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.971 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.84 163.46 26.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -174.1 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -88.76 80.41 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.73 -15.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.413 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -88.85 175.97 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 p -68.14 164.25 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -179.51 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -78.68 114.96 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 68' ' ' SER . 0.4 OUTLIER -96.63 -60.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.591 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -67.71 166.95 18.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.658 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 66' ' ' ASN . 3.5 Cg_exo -77.86 22.52 4.22 Favored 'Cis proline' 0 C--N 1.354 0.844 0 C-N-CA 124.443 -1.065 . . . . 0.0 112.837 2.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.591 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 17.6 m -81.12 -61.05 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.27 135.69 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.81 75.22 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.989 0.423 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 19' ' ' ALA . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 50' ' ' LEU . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.657 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.657 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.722 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HE ' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.648 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.652 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.722 HG21 ' HD2' ' A' ' 14' ' ' TYR . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 30.1 mt-30 -68.22 -176.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.28 50.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 165.58 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 165.51 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -89.85 8.87 29.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.53 60.75 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.43 159.24 18.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -46.52 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.96 136.25 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -77.38 105.26 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -96.6 73.99 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.518 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 1.4 m-80 -85.27 146.37 44.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 66' ' ' ASN . 36.7 Cg_exo -60.95 -50.91 5.39 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -82.86 13.64 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HD2' ' HB2' ' A' ' 66' ' ' ASN . 2.0 ttmm -88.9 133.2 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 47.63 1.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.914 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.719 ' HB ' HG21 ' A' ' 37' ' ' ILE . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.43 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.613 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.479 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG23 ' C ' ' A' ' 6' ' ' ARG . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.719 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 -67.12 -167.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.0 56.54 1.99 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.166 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.47 155.89 31.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -79.3 132.58 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -75.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 -30.63 2.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.654 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -88.82 9.34 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.8 m -75.59 -172.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.07 -35.26 80.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.001 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.17 117.17 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 t -97.6 178.68 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.728 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 9.9 m120 -84.02 144.57 44.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 -41.75 73.93 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.613 2.209 . . . . 0.0 112.369 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -81.96 -21.44 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 16.3 mttm -89.58 63.74 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 137.43 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.934 -179.839 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.778 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 25' ' ' VAL . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 -68.77 171.06 8.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.07 39.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.65 153.19 35.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.03 -166.71 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.41 176.57 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.96 -73.97 0.47 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.646 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 m -88.21 136.62 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.23 -5.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 56.89 88.82 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.95 101.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 m -96.88 103.3 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.757 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 11.1 m120 -65.51 148.14 98.25 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.14 -39.02 72.86 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.173 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.08 -10.35 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.757 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.76 168.84 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -82.58 166.86 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.439 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.67 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -66.9 -168.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.87 72.26 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.99 141.28 40.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -79.37 158.56 27.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.05 68.74 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.5 -9.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.621 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 t -88.68 -54.64 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 33.2 m -84.7 -172.92 4.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -163.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -59.52 114.94 2.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.494 ' HB ' ' H ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -96.99 -160.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.563 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.8 166.95 8.39 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 3.8 Cg_exo -79.36 25.57 3.8 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.373 -1.095 . . . . 0.0 112.83 2.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.563 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -81.63 -65.56 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.759 0.314 . . . . 0.0 110.85 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -88.81 129.43 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.46 90.77 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.804 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.607 HD13 HD23 ' A' ' 50' ' ' LEU . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' ALA . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 -66.65 -163.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.05 85.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 58' ' ' LYS . 1.3 tp10 -76.64 160.66 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 21.7 mttm -80.3 18.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -90.96 95.54 10.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.784 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.59 15.95 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -88.82 -50.48 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.797 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 -11.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 64.43 155.7 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -82.82 98.85 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.02 -179.39 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 144.92 37.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.8 -39.26 15.29 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.441 2.094 . . . . 0.0 112.145 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.56 1.27 38.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 100.83 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -82.56 93.98 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 71' ' ' GLU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.551 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.654 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HD1' HG21 ' A' ' 51' ' ' VAL . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.731 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 25' ' ' VAL . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.731 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.623 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HD1' ' A' ' 14' ' ' TYR . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.93 -167.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.49 99.77 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.78 154.42 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -80.28 33.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -89.32 -14.44 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.33 13.0 21.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 t -88.28 74.26 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 153.54 21.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.53 57.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.02 107.06 19.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 9.7 t30 -75.01 132.32 77.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.94 -40.92 48.7 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.583 2.188 . . . . 0.0 112.457 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -82.91 4.63 24.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.82 112.48 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -82.51 90.31 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.898 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.76 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.514 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.66 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' SG ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.657 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 79.9 mt-30 -67.22 -166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.26 76.67 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.84 164.94 25.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 61' ' ' SER . 9.4 tttm -79.27 -166.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.44 -18.19 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.39 56.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.555 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 58' ' ' LYS . 1.4 t -89.08 86.68 6.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.977 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -99.99 140.13 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 123.44 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.53 87.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.84 35.79 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.35 145.85 99.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.691 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.16 -42.05 72.55 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.398 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 p -82.97 -20.3 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -89.07 122.17 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.86 161.13 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG2' ' HB2' ' A' ' 9' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' HH21 ' A' ' 40' ' ' ARG . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.748 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 36' ' ' ARG . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.524 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.562 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.862 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 -67.57 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 2.1 tt0 -74.73 88.03 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.73 173.69 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -78.92 155.64 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -89.95 171.59 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.53 0.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.86 116.89 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.33 -29.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.45 -8.71 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -75.25 -56.37 4.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -96.88 88.08 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.669 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 5.9 m120 -63.1 152.1 84.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.02 -40.68 68.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.56 2.173 . . . . 0.0 112.174 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -12.24 57.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -89.01 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -174.45 5.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.883 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.689 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.722 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.722 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 -67.69 -171.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -78.81 102.67 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.14 156.35 33.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -78.49 137.37 37.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.054 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.76 -6.96 53.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.25 66.67 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.81 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.016 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.93 161.49 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -95.71 -1.92 48.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.007 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -73.11 -41.79 63.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 71' ' ' GLU . 22.5 m -97.48 93.41 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.6 m-80 -67.6 146.1 98.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.89 -39.8 77.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -82.3 -4.8 57.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -88.88 161.54 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.32 -88.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.596 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.624 ' C ' HG23 ' A' ' 30' ' ' VAL . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.688 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.688 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.831 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' C ' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.685 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HG2' HD13 ' A' ' 50' ' ' LEU . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.7 mm-40 -67.81 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 5.3 pt-20 -73.68 -142.76 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.702 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.86 137.85 44.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.958 -179.108 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 163.71 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.952 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.69 167.7 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.26 33.23 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.559 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -88.91 -69.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.63 41.68 28.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HE3' ' A' ' 69' ' ' LYS . 4.6 m-85 -63.09 115.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 91.79 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 7.3 m-20 -70.5 148.92 95.53 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.07 -45.71 30.15 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.539 2.159 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -82.8 1.37 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 4.0 ttmm -89.03 -91.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -82.74 -86.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.44 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.43 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.708 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 47' ' ' ALA . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 38' ' ' PHE . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 -67.17 -160.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -75.79 -146.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.32 178.087 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 56' ' ' GLU . 2.0 pt-20 -76.67 166.34 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -79.04 173.27 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 142.93 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.9 34.2 4.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.06 23.11 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -95.78 169.41 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.24 -169.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.8 -164.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.9 t -96.3 164.2 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.649 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 19.2 m-20 -62.99 142.61 97.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 -32.63 75.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.121 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.3 p -82.45 -9.0 59.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.646 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.649 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -88.61 169.82 11.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -178.33 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.878 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.748 ' HB ' HG21 ' A' ' 37' ' ' ILE . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.816 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.691 ' HD1' HG21 ' A' ' 51' ' ' VAL . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.649 ' HG2' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.645 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.829 HG22 ' HB3' ' A' ' 7' ' ' CYS . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.537 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.748 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG21 ' HD1' ' A' ' 14' ' ' TYR . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -67.35 -169.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.9 39.72 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.7 163.75 26.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -78.93 148.38 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -89.72 -78.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.992 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.52 4.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -176.58 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.6 m -97.77 26.38 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -79.09 -16.98 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.93 133.94 36.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.3 115.09 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.619 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 2.9 m-20 -81.26 152.99 71.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.3 -34.31 97.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.891 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.8 t -82.75 -17.84 42.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -88.62 87.45 7.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HD2' HH11 ' A' ' 70' ' ' ARG . 3.9 ptp180 -81.66 140.16 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.721 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.589 HG21 ' CD1' ' A' ' 54' ' ' LEU . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.561 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.765 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.79 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 51' ' ' VAL . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.487 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' HD21 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 47' ' ' ALA . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.589 ' CD1' HG21 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 -67.16 -178.82 0.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.32 96.41 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.91 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.42 160.91 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -78.74 142.59 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -178.44 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.73 10.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -88.79 -68.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 157.93 45.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.72 -80.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -68.7 147.53 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -96.37 162.18 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.023 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.54 148.73 70.41 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.19 -41.03 80.92 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.499 2.133 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -8.25 59.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -88.61 101.44 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 133.25 35.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.707 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.425 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.652 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.707 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 -67.09 174.51 3.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 88.86 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.952 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.25 142.28 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 118.15 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.82 -28.09 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.58 61.12 6.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.396 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 t -89.05 -16.29 31.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.79 178.12 9.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.59 -175.0 4.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.88 -58.25 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.14 95.91 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.754 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -68.29 112.99 12.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.26 -42.54 7.49 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.633 2.222 . . . . 0.0 112.307 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.32 -32.67 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 6.3 mttp -88.36 173.01 8.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -82.39 147.77 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.039 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 47' ' ' ALA . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.559 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 54' ' ' LEU . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HD2' HG21 ' A' ' 51' ' ' VAL . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 7' ' ' CYS . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.661 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' HD13 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.607 HD13 ' HB1' ' A' ' 12' ' ' ALA . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 -66.23 -171.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.75 85.62 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 11.2 tt0 -77.12 170.12 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.761 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 4.5 ttmt -79.26 131.66 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -89.91 -36.06 15.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.54 58.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.388 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.74 133.98 34.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.055 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 0.57 50.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 162.14 20.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.77 44.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -96.9 144.24 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -72.28 157.01 89.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.79 -34.8 81.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.556 2.171 . . . . 0.0 112.239 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -7.69 59.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 167.53 13.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.56 -92.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.944 179.765 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 19' ' ' ALA . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.407 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.543 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.784 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.628 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.671 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG21 ' HD2' ' A' ' 14' ' ' TYR . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.59 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' A' ' 52' ' ' ARG . 8.0 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 19' ' ' ALA . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.627 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.579 ' HD1' HG21 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 22' ' ' ARG . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.681 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HZ2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.727 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 4' ' ' ILE . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.636 ' HD1' HG21 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.754 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 28' ' ' ARG . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.804 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.688 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HD1' ' A' ' 14' ' ' TYR . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.729 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 50' ' ' LEU . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA2' HH21 ' A' ' 6' ' ' ARG . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.686 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.686 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.729 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.686 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.667 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.601 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.686 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 47' ' ' ALA . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 19' ' ' ALA . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 50' ' ' LEU . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.451 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.657 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.657 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.722 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HE ' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.648 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.652 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.722 HG21 ' HD2' ' A' ' 14' ' ' TYR . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.699 HE21 HG12 ' A' ' 51' ' ' VAL . 41.2 mt-30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.719 ' HB ' HG21 ' A' ' 37' ' ' ILE . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.43 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.613 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.479 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG23 ' C ' ' A' ' 6' ' ' ARG . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.719 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.778 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.439 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.67 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.607 HD13 HD23 ' A' ' 50' ' ' LEU . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.659 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' ALA . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.551 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.654 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HD1' HG21 ' A' ' 51' ' ' VAL . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.731 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.731 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.623 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HD1' ' A' ' 14' ' ' TYR . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.76 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.514 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.66 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' SG ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.657 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD2' HE22 ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.552 HE22 ' HD2' ' A' ' 52' ' ' ARG . 27.5 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG2' ' HB2' ' A' ' 9' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' HH21 ' A' ' 40' ' ' ARG . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.748 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 36' ' ' ARG . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.524 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.562 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.862 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.689 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' H ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.722 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.58 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.722 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.624 ' C ' HG23 ' A' ' 30' ' ' VAL . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.688 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.688 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.831 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' C ' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.685 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HG2' HD13 ' A' ' 50' ' ' LEU . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 2.9 mm100 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.44 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.43 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.708 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 47' ' ' ALA . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 38' ' ' PHE . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.748 ' HB ' HG21 ' A' ' 37' ' ' ILE . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.816 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.691 ' HD1' HG21 ' A' ' 51' ' ' VAL . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.649 ' HG2' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.645 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.829 HG22 ' HB3' ' A' ' 7' ' ' CYS . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.537 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.748 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.462 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG21 ' HD1' ' A' ' 14' ' ' TYR . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.721 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.589 HG21 ' CD1' ' A' ' 54' ' ' LEU . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.561 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.765 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.79 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 51' ' ' VAL . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.487 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' HD21 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 47' ' ' ALA . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.589 ' CD1' HG21 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.707 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.425 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.652 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.707 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 47' ' ' ALA . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.559 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 54' ' ' LEU . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HD2' HG21 ' A' ' 51' ' ' VAL . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 7' ' ' CYS . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.661 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.661 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' HD13 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.607 HD13 ' HB1' ' A' ' 12' ' ' ALA . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.732 0.301 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -105.18 153.34 21.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.784 HD11 ' HB3' ' A' ' 19' ' ' ALA . 7.3 pt -128.99 163.01 35.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.407 ' CG2' ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -127.16 149.15 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.19 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.543 ' HD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -143.59 -168.27 2.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.564 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 5.6 mtm180 -140.04 129.14 23.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.0 0.429 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 9.9 t -76.93 165.12 25.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.118 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -62.68 -29.77 70.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.919 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.5 m -73.07 4.68 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.74 15.94 71.81 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 8.4 mmm180 -79.94 -169.92 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.488 -0.356 . . . . 0.0 111.384 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -157.7 146.03 19.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.71 -172.89 3.91 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.823 0.344 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.2 p90 -137.51 143.42 41.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.5 t -155.49 -172.63 4.22 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.747 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 146.73 39.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 tt0 -56.07 107.23 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.297 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.12 -7.46 2.36 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.955 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.784 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.08 110.52 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.992 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.71 -36.36 15.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 179.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -145.38 109.81 4.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 4.0 mmm180 -89.74 -171.16 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.4 tttm -150.58 142.4 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -97.83 126.17 43.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.22 -17.59 22.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.95 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.78 -31.73 70.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.773 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.51 58.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.664 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.628 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -170.7 -168.95 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 99.4 m -139.05 139.0 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 7' ' ' CYS . 35.7 t -102.17 115.76 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.685 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -94.14 116.06 28.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.957 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.2 -170.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.27 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.97 0.414 . . . . 0.0 111.319 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 -44.46 9.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.313 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.52 -109.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.967 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.8 -88.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.671 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 157.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.751 -179.08 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.72 144.08 26.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.019 178.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.79 94.11 0.01 OUTLIER Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.126 -0.559 . . . . 0.0 113.064 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 91.78 8.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.115 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.84 123.18 38.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.71 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -83.88 -40.97 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -88.94 136.14 33.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.01 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.23 -37.23 71.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.64 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -41.89 88.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.635 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -68.42 -26.72 65.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.524 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.23 -55.79 30.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.046 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -33.88 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.168 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.13 -39.05 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mp -68.29 -38.65 81.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG21 ' HD2' ' A' ' 14' ' ' TYR . 96.0 t -64.73 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.098 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.59 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.6 tpp180 -61.19 -43.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -68.07 -37.35 81.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.673 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.54 -18.2 64.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.034 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' A' ' 52' ' ' ARG . 8.0 mt-30 -67.25 -171.83 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.212 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.19 52.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.014 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.88 119.4 20.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -81.36 26.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 127.73 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.16 -53.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.51 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.59 79.56 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.003 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.89 -41.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.3 -78.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -97.54 144.08 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.05 146.98 72.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.96 -39.46 70.85 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.523 2.149 . . . . 0.0 112.245 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 p -82.91 0.05 46.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -88.64 -113.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.789 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 20.9 mtt180 -83.37 -62.4 1.6 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.803 0.335 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.989 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 2.6 m-85 -133.48 157.5 45.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 19' ' ' ALA . 9.2 pt -128.85 160.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.805 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -126.82 149.69 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 110.239 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.68 -167.37 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.652 -178.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 26.6 mtm180 -142.2 130.87 22.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.973 0.416 . . . . 0.0 111.771 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 30' ' ' VAL . 8.6 t -77.81 163.81 25.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.1 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.74 -29.05 70.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 84.1 m -73.19 4.18 4.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.574 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.35 14.69 70.71 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.627 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 13.2 mtt-85 -79.62 -168.14 1.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 111.256 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.34 148.09 19.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.946 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.95 178.63 7.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.579 ' HD1' HG21 ' A' ' 51' ' ' VAL . 33.1 p90 -136.7 139.59 42.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.3 t -155.3 -172.58 4.22 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.935 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 148.45 38.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 111.53 0.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.329 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 142.05 -6.61 2.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.794 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 111.231 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -88.64 -46.93 8.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.525 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.25 115.37 6.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.898 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -87.21 -165.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 9.9 ttpt -150.62 141.84 23.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.121 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.8 126.25 43.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.336 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.8 t -68.29 -17.99 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.832 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.86 -31.36 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 133.79 58.11 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.482 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -170.65 -166.29 0.5 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 22' ' ' ARG . 52.5 m -139.52 140.19 37.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.2 t -98.53 112.08 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.362 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -94.06 116.39 28.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.296 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 m -65.47 -170.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.681 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.23 -178.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 111.047 -179.676 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.681 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 7.2 t70 -89.53 -45.62 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.295 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HZ2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -85.0 -107.37 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.075 177.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -76.74 -95.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.727 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.68 153.07 8.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.565 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 2.2 t80 -91.15 148.65 22.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.186 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.94 90.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -91.95 91.09 7.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.36 114.11 26.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.909 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.67 -34.3 25.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 139.04 30.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -57.47 -45.08 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.744 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.18 -34.75 78.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.17 -29.78 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.688 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.75 -53.7 55.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.169 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.356 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -37.36 77.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.108 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HB2' ' A' ' 41' ' ' ALA . 3.5 mt -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.579 HG21 ' HD1' ' A' ' 14' ' ' TYR . 61.6 t -64.9 -40.19 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.438 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 41.4 ttp180 -61.97 -44.98 95.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.362 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -67.28 -36.63 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.713 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 4' ' ' ILE . 1.6 mm? -68.63 -23.45 64.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 24.4 mt-30 -67.98 -170.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.215 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.23 99.15 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.802 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.59 141.59 42.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.48 169.05 18.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.015 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.84 48.85 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.79 -39.95 3.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.412 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -88.9 -166.2 1.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.26 149.79 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -100.15 -7.44 24.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 133.7 35.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.63 150.2 20.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.93 150.79 92.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.38 -41.98 18.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.505 2.137 . . . . 0.0 112.352 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.0 p -82.57 -4.12 57.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -88.63 86.94 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 76.63 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.815 0.341 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.15 152.24 24.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.754 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.7 pt -128.77 161.77 37.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.9 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 mp -126.46 149.09 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.2 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.53 -165.4 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.804 -178.334 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -142.97 130.67 21.39 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.959 0.409 . . . . 0.0 111.821 -179.167 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.4 t -77.58 161.81 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.143 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.13 -27.36 69.33 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 0.0 110.701 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 34.2 t -73.01 4.23 4.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.237 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.5 74.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 3.3 mmm180 -80.42 -168.87 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.356 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -157.69 146.69 19.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.593 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 mt -144.44 -178.6 6.07 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.897 0.38 . . . . 0.0 111.602 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.636 ' HD1' HG21 ' A' ' 51' ' ' VAL . 44.4 p90 -136.24 142.1 44.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.83 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.8 t -154.73 -171.18 3.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 16' ' ' ARG . 9.7 mtt85 -75.2 144.17 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.99 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 20' ' ' LYS . . . 139.58 -3.78 2.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.664 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.754 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.74 115.71 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.11 -47.21 8.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.8 115.48 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.957 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -170.12 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.441 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -150.08 139.96 21.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.027 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -99.8 121.1 40.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.405 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.0 t -67.95 -21.02 26.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.18 -18.11 63.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.02 64.66 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.541 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 28' ' ' ARG . 4.6 mtm180 -173.47 -171.83 0.73 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.6 m -142.7 131.95 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.43 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 21.1 t -98.12 114.48 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 111.49 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.97 117.77 31.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.599 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -66.01 -173.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.804 ' HD3' ' HB2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -57.07 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 111.14 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.03 -42.96 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -84.96 -110.21 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -76.73 -99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.772 0.32 . . . . 0.0 111.093 179.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.688 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.2 151.97 9.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 5.1 t80 -92.27 153.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.116 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.14 88.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.45 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -92.09 90.62 7.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.92 121.9 35.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.498 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.71 -40.16 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.49 132.92 33.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.761 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -55.76 -36.51 67.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.496 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.0 -36.55 80.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.725 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -27.43 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.14 -46.49 88.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 m -60.09 -44.64 94.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.67 -34.22 75.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.469 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mp -69.75 -42.36 74.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.007 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HD1' ' A' ' 14' ' ' TYR . 73.5 t -64.77 -46.15 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.645 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -61.25 -38.22 85.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -35.54 77.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.47 -23.13 65.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.604 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 32.0 mt-30 -67.72 -174.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 99.82 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.874 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -74.7 129.62 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -78.96 -160.65 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.987 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -88.67 -65.65 1.0 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.9 114.46 0.3 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.604 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -88.67 -162.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.614 0.245 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.98 -151.44 0.42 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -69.13 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.32 40.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 70.96 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.912 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 17.4 m-80 -66.68 152.4 95.3 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.725 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.19 -40.82 82.39 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.56 2.174 . . . . 0.0 112.118 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -25.49 32.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 13.7 mtpt -88.54 91.1 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.61 144.05 30.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.998 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.761 0.315 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 50.4 m-85 -135.18 158.31 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.019 0.437 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.729 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.9 pt -128.63 151.78 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.484 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 50' ' ' LEU . 1.4 mp -118.02 150.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.09 -170.5 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.454 -178.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -142.82 121.78 12.79 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.914 0.388 . . . . 0.0 111.889 -178.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 30.0 t -78.95 158.79 27.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.4 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.21 -22.31 64.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.335 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -72.52 4.64 3.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 0.0 110.013 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA2' HH21 ' A' ' 6' ' ' ARG . . . 80.67 6.65 89.23 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.685 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.747 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 4.2 ptm180 -84.54 -172.95 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.333 . . . . 0.0 111.254 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -154.72 150.66 27.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.787 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.21 -179.03 6.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.796 0.332 . . . . 0.0 111.468 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 22.3 p90 -134.93 141.78 46.37 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 3.7 t -155.0 -175.32 5.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -76.33 148.7 37.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 114.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.16 -12.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.693 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.686 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.77 105.89 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -89.56 -42.97 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.76 110.07 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.925 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.18 -157.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 10.9 tttm -150.61 147.06 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.266 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -99.61 123.55 43.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.312 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.24 -22.6 27.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 t -69.72 -28.58 65.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 131.61 64.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.462 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -172.97 -163.09 0.19 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.783 0.325 . . . . 0.0 111.093 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 60.6 m -139.72 138.81 36.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.493 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 7' ' ' CYS . 22.4 t -95.6 109.91 23.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.024 0.44 . . . . 0.0 111.296 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.83 111.84 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.435 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.686 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -65.33 -167.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.4 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -57.25 -179.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -46.88 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.427 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -84.83 -104.13 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.082 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.8 mtp180 -77.46 -90.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 110.981 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.729 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.91 154.83 6.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.54 -179.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG3' ' A' ' 33' ' ' LYS . 3.5 t80 -91.14 149.34 21.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.978 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.45 89.36 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.81 90.62 7.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.5 113.66 25.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.467 -178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.54 -34.2 31.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.37 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -88.13 133.52 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -56.27 -41.33 75.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.626 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.67 -38.45 86.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.56 -25.32 64.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.565 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.87 -57.77 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -34.04 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -37.86 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.871 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -68.07 -43.77 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.721 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.21 -39.59 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.001 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.84 -43.16 99.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.351 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -68.28 -33.72 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -68.43 -10.01 52.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.564 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 55.1 mt-30 -66.89 -165.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.052 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.85 71.15 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.06 128.71 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -78.71 142.65 36.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -89.04 118.54 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.011 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.43 -37.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.1 t -89.5 122.59 32.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 m -126.66 131.01 51.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.52 -60.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -64.84 166.08 9.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -96.89 122.05 39.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.38 150.63 97.63 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.07 -39.78 89.2 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 m -82.54 -15.22 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 129.44 35.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -66.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.95 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.686 ' HB3' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.739 0.304 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -104.85 155.07 19.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.802 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.8 pt -128.78 160.91 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.943 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -125.49 149.1 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.186 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.81 -164.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.923 -178.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.0 mtt180 -142.17 131.29 23.29 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 111.534 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 30' ' ' VAL . 9.3 t -77.51 165.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.063 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -29.24 70.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.832 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.9 m -73.19 4.19 4.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 16.98 66.64 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -79.93 -165.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 111.442 -179.239 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.69 143.11 15.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.652 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -143.82 -176.9 5.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.829 0.347 . . . . 0.0 111.277 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 44.5 p90 -137.8 142.96 40.85 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.313 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 5.3 t -154.54 -169.91 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.59 144.27 41.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.773 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 7.4 tm-20 -55.39 109.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.41 -8.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.877 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.667 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -74.2 111.37 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.33 -44.16 10.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 179.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 1.6 p -147.25 109.68 4.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.74 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -88.96 -170.46 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.514 179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 21.6 tttt -149.65 143.11 25.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 126.06 41.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.77 -17.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.861 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -69.32 -29.5 67.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.703 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.3 59.27 0.09 OUTLIER Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.562 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.95 -169.26 0.74 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.5 m -139.89 135.73 33.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.3 t -100.24 110.69 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -93.04 116.77 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.362 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -65.99 -167.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.899 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.61 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -46.86 8.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.231 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -86.45 -104.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.56 -93.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.601 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.56 158.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 -178.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.26 145.59 24.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.17 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.6 95.74 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.096 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -91.61 91.21 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.093 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.96 118.53 31.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.604 -178.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.686 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 15.1 t70 -83.26 -37.39 23.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.533 178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.06 136.72 32.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -56.34 -41.36 75.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.92 -33.94 75.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.3 -26.67 65.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.19 -58.4 8.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.2 t -59.45 -35.49 74.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.231 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -69.28 -38.46 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.93 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -68.04 -41.43 82.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 47' ' ' ALA . 92.3 t -65.28 -35.37 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.93 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 12.5 ttt-85 -61.54 -44.32 97.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.025 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -36.52 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.642 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.35 -11.73 60.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.141 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 5.0 mm100 -66.53 -170.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.72 76.98 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.971 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.84 163.46 26.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -174.1 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -88.76 80.41 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.73 -15.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.413 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -88.85 175.97 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 p -68.14 164.25 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -179.51 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -78.68 114.96 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 68' ' ' SER . 0.4 OUTLIER -96.63 -60.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.809 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.591 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -67.71 166.95 18.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.658 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 66' ' ' ASN . 3.5 Cg_exo -77.86 22.52 4.22 Favored 'Cis proline' 0 C--N 1.354 0.844 0 C-N-CA 124.443 -1.065 . . . . 0.0 112.837 2.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.591 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 17.6 m -81.12 -61.05 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.27 135.69 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.81 75.22 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.989 0.423 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.844 0.354 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.75 157.84 39.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 19' ' ' ALA . 6.9 pt -128.58 160.51 38.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.912 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 50' ' ' LEU . 1.2 mp -126.41 149.45 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.088 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.76 -162.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.025 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 HH11 ' HD2' ' A' ' 6' ' ' ARG . 5.8 mtm180 -141.69 131.79 24.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.444 . . . . 0.0 111.783 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 30' ' ' VAL . 13.9 t -77.35 165.96 23.76 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.126 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.02 -29.34 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.771 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.657 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 25.0 t -73.47 4.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.369 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.31 67.27 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.44 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.657 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 9.5 mtp180 -80.36 -163.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 111.496 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.09 145.8 18.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.577 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.15 -176.02 4.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.764 0.316 . . . . 0.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.722 ' HD2' HG21 ' A' ' 51' ' ' VAL . 34.3 p90 -137.37 142.62 41.76 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 14.6 t -155.7 -173.67 4.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.636 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.81 147.86 38.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.51 107.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.1 -6.66 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.829 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.66 110.45 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -41.67 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -145.39 111.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.339 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HE ' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.95 -167.82 1.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.278 178.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.8 ttpp -151.78 140.64 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 118.76 35.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.122 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -15.42 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.392 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.45 -24.42 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.95 53.69 0.1 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.46 -167.27 0.51 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.03 0.443 . . . . 0.0 111.226 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 62.5 m -139.1 136.41 35.15 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' SG ' ' A' ' 7' ' ' CYS . 21.7 t -98.97 111.88 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -95.24 119.51 33.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.363 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.648 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.16 -171.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.66 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.5 mmmt -57.55 -178.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.182 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -44.31 10.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.355 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -84.78 -107.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.222 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 10.4 mtt-85 -78.08 -94.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.753 0.311 . . . . 0.0 111.033 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.652 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.1 157.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.35 143.16 27.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.227 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.13 95.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.196 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.1 89.89 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.911 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.18 111.44 23.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.678 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.36 -31.3 29.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.292 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -86.32 133.18 33.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.15 -46.16 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.03 -35.49 80.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.21 -24.38 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.61 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -33.34 71.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -38.5 77.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.067 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.1 mt -67.72 -39.42 84.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.722 HG21 ' HD2' ' A' ' 14' ' ' TYR . 57.9 t -65.0 -40.47 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.932 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -62.81 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.346 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -34.5 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -67.26 -28.88 68.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.096 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.699 HE21 HG12 ' A' ' 51' ' ' VAL . 41.2 mt-30 -68.22 -176.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.909 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.28 50.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 165.58 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.15 165.51 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -89.85 8.87 29.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.53 60.75 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.43 159.24 18.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -46.52 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.96 136.25 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -77.38 105.26 8.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -96.6 73.99 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.518 ' HB2' ' HD2' ' A' ' 69' ' ' LYS . 1.4 m-80 -85.27 146.37 44.8 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.735 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 66' ' ' ASN . 36.7 Cg_exo -60.95 -50.91 5.39 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -82.86 13.64 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HD2' ' HB2' ' A' ' 66' ' ' ASN . 2.0 ttmm -88.9 133.2 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 47.63 1.24 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.914 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.13 157.08 43.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.719 ' HB ' HG21 ' A' ' 37' ' ' ILE . 7.5 pt -128.84 162.7 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.042 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.43 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -128.03 149.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.101 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.45 -163.56 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.86 -178.242 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.613 ' C ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.96 130.59 22.7 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.882 0.372 . . . . 0.0 111.557 -179.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.8 t -75.8 166.44 23.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.245 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.726 0.298 . . . . 0.0 110.627 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.5 t -73.7 3.6 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.3 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.37 19.59 62.03 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.879 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -80.62 -161.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 111.69 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.64 134.52 7.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.553 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.8 mm? -134.92 -177.49 4.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.758 0.313 . . . . 0.0 111.416 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 42.3 p90 -137.01 141.77 42.53 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.394 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.6 t -156.13 -171.49 3.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 146.57 39.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 0.0 110.96 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -56.23 107.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.237 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.32 -8.75 2.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.81 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -73.42 116.38 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.716 0.294 . . . . 0.0 111.282 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -90.64 -43.93 9.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.769 179.244 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 110.02 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.604 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -92.52 -154.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.199 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 8.5 tttm -149.68 146.04 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.531 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.01 127.41 43.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.356 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.0 t -68.12 -16.46 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.836 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -21.24 63.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.686 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.479 ' C ' ' HG2' ' A' ' 28' ' ' ARG . . . 120.96 57.61 0.23 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.508 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -170.76 -166.7 0.51 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 97.2 m -136.33 135.34 38.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG23 ' C ' ' A' ' 6' ' ' ARG . 1.8 p -100.56 120.64 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.086 0.47 . . . . 0.0 111.679 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.73 120.19 35.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.77 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.12 -167.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.77 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -57.16 -178.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.021 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.1 -47.42 8.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.67 -106.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.041 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.78 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 110.983 178.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.719 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.75 154.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.702 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 2.2 t80 -92.34 152.43 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.31 90.06 0.01 OUTLIER Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.674 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.25 90.39 7.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.342 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -93.59 115.74 28.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.27 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -34.73 30.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 51.4 m-20 -86.76 133.24 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.785 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -56.38 -40.62 74.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.69 -37.48 79.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.769 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . 34.3 tt0 -68.02 -23.91 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.59 -57.88 11.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -59.14 -32.87 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -39.73 75.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mt -67.36 -37.19 82.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.961 0.41 . . . . 0.0 110.752 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 50.9 t -64.09 -44.77 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.235 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -61.61 -40.48 94.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.37 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -67.47 -34.46 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -67.98 -22.52 65.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.614 178.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 7.6 mm100 -67.12 -167.46 0.06 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.0 56.54 1.99 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.166 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.47 155.89 31.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -79.3 132.58 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -75.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 -30.63 2.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.654 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -88.82 9.34 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.8 m -75.59 -172.26 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -65.07 -35.26 80.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.001 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.17 117.17 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.8 t -97.6 178.68 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.728 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 9.9 m120 -84.02 144.57 44.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 -41.75 73.93 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.613 2.209 . . . . 0.0 112.369 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 p -81.96 -21.44 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 16.3 mttm -89.58 63.74 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.32 137.43 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.934 -179.839 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 20.1 m-85 -134.94 159.85 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.053 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.748 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.9 pt -128.98 159.08 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.729 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.628 HD13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -124.52 149.05 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.182 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.55 -166.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.846 -178.102 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -143.9 121.51 11.81 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.951 0.405 . . . . 0.0 111.876 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.778 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 13.2 t -78.45 158.8 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.006 177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.47 -19.08 55.37 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.302 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' A' ' 28' ' ' ARG . 34.8 m -72.82 4.3 4.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.113 0.482 . . . . 0.0 110.048 176.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.15 5.58 89.03 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.954 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 7.8 ptm180 -86.05 -163.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.348 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.84 155.62 33.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -145.15 -176.68 5.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.344 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 34.5 p90 -137.78 143.68 41.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.4 t -155.97 -171.72 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.12 146.89 38.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.03 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.1 tt0 -55.64 108.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.5 -7.52 2.26 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.974 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.83 112.23 10.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.739 0.304 . . . . 0.0 111.132 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.9 mptt -89.24 -43.35 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.87 111.69 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -173.29 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -151.39 139.32 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.067 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 124.2 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.6 t -68.32 -17.28 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.932 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.83 -36.28 78.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.759 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.93 57.1 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.56 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -170.52 -172.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.91 0.386 . . . . 0.0 111.082 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.4 m -140.18 135.58 32.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.691 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.4 t -97.38 114.89 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.466 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -97.61 114.76 26.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.254 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.3 m -64.94 -170.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.726 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -57.37 -177.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 111.13 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -45.0 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -84.93 -108.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.272 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HD3' HH11 ' A' ' 36' ' ' ARG . 0.2 OUTLIER -76.29 -92.93 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.941 0.401 . . . . 0.0 110.989 179.04 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.81 155.7 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 -179.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.63 148.78 22.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.79 91.69 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.864 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.2 90.19 7.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 109.909 178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.696 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.66 109.14 21.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.669 -177.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -30.72 32.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.163 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -87.61 129.54 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.762 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -55.24 -37.41 67.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.742 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.75 -42.14 82.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 21.6 tt0 -68.24 -22.68 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.67 -61.29 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.281 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -59.51 -35.09 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.357 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -69.08 -38.16 78.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.977 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.5 mt -67.55 -41.55 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 92.9 t -63.97 -49.89 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.129 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 mtm105 -63.88 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.471 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 14.1 tttt -65.34 -33.16 75.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -37.82 86.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.8 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 36.4 mt-30 -68.77 171.06 8.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.957 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.07 39.44 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -76.65 153.19 35.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -79.03 -166.71 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.41 176.57 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.96 -73.97 0.47 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.646 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.6 m -88.21 136.62 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.23 -5.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 56.89 88.82 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.95 101.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.5 m -96.88 103.3 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.757 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 11.1 m120 -65.51 148.14 98.25 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.14 -39.02 72.86 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.173 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.08 -10.35 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.757 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.76 168.84 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -82.58 166.86 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.912 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.847 0.355 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -108.03 159.45 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.0 pt -128.07 153.0 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 54' ' ' LEU . 1.3 mp -119.32 149.66 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.261 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.01 -168.1 2.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.723 -178.534 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -141.44 130.25 22.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.691 -178.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 9.1 t -77.52 167.23 21.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.054 178.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.95 -31.44 72.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.64 3.66 4.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.345 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.65 20.88 59.09 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 7' ' ' CYS . 10.5 mmt-85 -79.47 -168.31 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.728 0.299 . . . . 0.0 111.329 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.689 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -159.65 134.09 7.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 12' ' ' ALA . 3.9 mm? -134.53 -178.18 4.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.287 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -137.44 141.06 41.61 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.439 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.7 t -155.5 -172.73 4.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.81 153.23 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.051 179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.33 108.81 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.341 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.22 -8.37 2.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.951 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.814 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.37 110.24 8.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.994 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.15 -42.23 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.669 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.21 110.84 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -175.96 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 24' ' ' CYS . 8.4 tptt -150.0 146.96 27.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 5.9 t -98.01 127.91 44.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.164 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.27 -23.66 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.26 -26.44 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.735 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 127.2 71.16 0.17 Allowed Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.548 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 9.9 mtm180 -172.37 -175.64 1.42 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.816 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 90.8 m -141.94 130.95 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.3 t -103.57 110.81 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.47 116.58 29.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.471 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -64.79 -172.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.757 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HE3' ' H ' ' A' ' 35' ' ' ARG . 3.2 ttpp -56.66 -179.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.373 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -89.45 -44.31 10.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.344 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' H ' ' HE3' ' A' ' 33' ' ' LYS . 18.3 mtt180 -85.42 -106.96 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 6.6 mtp180 -76.93 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.67 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.34 153.91 7.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.741 -178.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -91.73 150.08 21.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.2 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.46 91.45 0.01 OUTLIER Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.936 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 91.24 7.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.882 0.373 . . . . 0.0 110.214 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -96.38 119.79 35.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.416 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.25 -39.32 23.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.82 133.4 34.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.32 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.513 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.47 -42.36 87.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.446 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -67.58 -25.56 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.363 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.97 72.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 t -59.89 -36.97 78.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -38.93 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.9 mp -67.9 -41.18 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.769 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.4 -42.37 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.346 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 4.7 tpt85 -61.47 -43.63 98.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.267 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.37 75.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -68.69 -13.81 62.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.032 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -66.9 -168.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.87 72.26 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.99 141.28 40.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -79.37 158.56 27.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.05 68.74 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.5 -9.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.621 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 t -88.68 -54.64 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 33.2 m -84.7 -172.92 4.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -163.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -59.52 114.94 2.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.494 ' HB ' ' H ' ' A' ' 66' ' ' ASN . 0.7 OUTLIER -96.99 -160.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.563 ' HA ' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.8 166.95 8.39 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 3.8 Cg_exo -79.36 25.57 3.8 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.373 -1.095 . . . . 0.0 112.83 2.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.563 ' N ' ' HA ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -81.63 -65.56 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.759 0.314 . . . . 0.0 110.85 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -88.81 129.43 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.46 90.77 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.804 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 6.1 m-85 -108.72 158.18 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.113 0.482 . . . . 0.0 111.36 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.3 pt -128.41 160.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.41 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.607 HD13 HD23 ' A' ' 50' ' ' LEU . 1.2 mp -126.02 149.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.88 -164.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.827 -178.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 3.8 mtp85 -142.53 132.08 23.82 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.014 0.435 . . . . 0.0 111.831 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 7.4 t -78.17 163.4 25.85 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.136 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -28.48 70.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.366 . . . . 0.0 110.636 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 38.1 t -73.08 4.59 4.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.273 177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.75 15.18 71.17 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.628 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 4.9 mtm-85 -80.42 -167.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.947 0.404 . . . . 0.0 111.466 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -158.78 145.96 17.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.525 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -174.99 4.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 111.605 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 45.9 p90 -136.9 142.69 42.74 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.98 -172.66 4.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 151.03 37.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 109.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.404 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.51 -6.09 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.993 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.29 111.43 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.82 -43.76 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.185 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -143.05 109.72 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.657 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -88.9 -161.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.58 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 6.9 ttmm -150.53 146.47 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 111.112 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -97.61 124.46 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.489 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.16 -21.56 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 5.1 t -69.3 -25.88 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.84 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.53 51.79 0.1 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.814 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' HG3' ' SG ' ' A' ' 24' ' ' CYS . 16.9 mtp85 -161.86 -163.53 0.97 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 46.0 m -138.2 137.62 37.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.573 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 4.6 t -102.11 111.41 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.06 0.457 . . . . 0.0 111.577 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.94 119.27 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.3 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.5 m -65.51 -171.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.83 178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -176.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.274 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.62 -44.7 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 35' ' ' ARG . 1.1 mmt180 -84.99 -109.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.234 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.6 mtt-85 -76.78 -94.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.659 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.62 152.34 9.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.25 148.04 22.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.189 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.26 90.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -91.91 91.0 7.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 109.935 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.33 117.34 29.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.69 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -36.56 25.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.223 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.18 131.82 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.846 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.29 -38.81 71.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -39.05 88.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 5.1 tt0 -68.32 -25.72 65.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.424 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -49.51 77.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.964 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 m -60.63 -44.71 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.623 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.9 -33.88 75.56 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.476 -178.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.3 mp -68.18 -45.25 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.674 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' ALA . 93.9 t -64.2 -41.0 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.05 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 33.6 ttt180 -62.34 -41.25 98.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -68.38 -33.36 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.55 -12.88 61.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.093 178.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt-30 -66.65 -163.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.05 85.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 58' ' ' LYS . 1.3 tp10 -76.64 160.66 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 57' ' ' GLU . 21.7 mttm -80.3 18.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -90.96 95.54 10.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.784 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.59 15.95 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -88.82 -50.48 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.797 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 -11.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 64.43 155.7 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -82.82 98.85 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.02 -179.39 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 144.92 37.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.8 -39.26 15.29 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.441 2.094 . . . . 0.0 112.145 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.56 1.27 38.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 100.83 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -82.56 93.98 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 71' ' ' GLU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.727 0.299 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -133.23 156.48 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.0 pt -128.83 161.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.551 HD13 HD13 ' A' ' 50' ' ' LEU . 1.1 mp -125.51 149.51 30.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.338 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -145.03 -164.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.809 -178.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 37.1 mtp85 -143.46 121.08 11.81 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 19.3 t -77.41 159.53 29.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.242 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -18.6 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -177.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -72.35 3.29 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.079 0.466 . . . . 0.0 109.882 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.4 5.23 89.26 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.622 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.654 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 5.7 ptp180 -85.85 -160.67 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 111.485 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.1 156.89 36.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.689 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -145.06 -174.71 4.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.968 0.413 . . . . 0.0 111.813 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' HD1' HG21 ' A' ' 51' ' ' VAL . 28.5 p90 -137.47 141.57 41.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.921 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 11.1 t -155.68 -171.28 3.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -74.89 144.2 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 tt0 -55.88 107.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.76 -2.09 2.98 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.987 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.769 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.14 115.82 15.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.056 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -44.73 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.81 110.72 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.731 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -89.5 -164.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.58 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 21.9 tttt -150.76 147.85 27.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.78 126.16 45.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.664 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 25' ' ' VAL . 1.7 t -68.84 -19.81 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.867 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 t -69.01 -28.99 67.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.74 61.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.587 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -172.96 -164.5 0.25 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.704 0.287 . . . . 0.0 110.87 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.7 m -138.07 136.48 36.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.731 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 9.5 t -97.71 117.87 43.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.332 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.11 117.26 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.943 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.6 m -66.62 -178.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.635 ' HG2' ' HA ' ' A' ' 37' ' ' ILE . 5.2 ptpt -58.6 -178.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.892 0.377 . . . . 0.0 110.776 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.3 -32.42 17.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.457 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -85.84 -114.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 2.5 mtt85 -80.93 -96.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -154.72 149.48 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -92.03 152.4 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.47 87.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.565 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.27 90.26 7.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 110.156 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.623 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -95.91 120.47 36.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.597 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -39.13 21.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.52 135.44 33.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.91 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -56.48 -35.53 68.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.399 . . . . 0.0 110.631 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -40.13 84.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.65 -29.47 68.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.68 -52.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -59.01 -36.57 75.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.258 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.5 -37.14 74.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.947 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.96 -43.68 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG21 ' HD1' ' A' ' 14' ' ' TYR . 63.6 t -63.8 -41.21 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -63.13 -42.55 99.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.296 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -65.84 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.4 -30.45 70.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.129 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.93 -167.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.272 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.49 99.77 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.78 154.42 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -80.28 33.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -89.32 -14.44 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.33 13.0 21.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.443 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 t -88.28 74.26 8.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.29 153.54 21.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.53 57.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.02 107.06 19.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 69' ' ' LYS . 9.7 t30 -75.01 132.32 77.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.94 -40.92 48.7 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.583 2.188 . . . . 0.0 112.457 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -82.91 4.63 24.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -88.82 112.48 23.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -82.51 90.31 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.898 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.763 0.316 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.76 HD11 ' HB3' ' A' ' 19' ' ' ALA . 5.4 pt -128.8 161.93 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.779 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -125.26 149.31 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.514 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.54 -164.41 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.877 -178.109 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -143.65 122.92 13.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.938 0.399 . . . . 0.0 111.909 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.66 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 17.4 t -78.21 163.13 26.05 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.963 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.56 -22.13 63.34 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.3 m -72.67 4.96 3.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.072 0.463 . . . . 0.0 110.107 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 9.46 86.77 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.753 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -84.33 -163.43 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.737 0.304 . . . . 0.0 111.278 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.9 151.1 28.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -173.54 3.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.873 0.368 . . . . 0.0 111.525 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.649 ' HD1' HG21 ' A' ' 51' ' ' VAL . 19.8 p90 -137.31 142.2 41.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.086 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.2 t -154.92 -171.05 3.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.68 145.28 41.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 24.8 tt0 -56.27 107.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.27 -5.98 2.73 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.038 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.27 112.5 10.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -89.23 -43.51 10.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.822 179.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 p -143.58 114.5 7.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -89.21 -174.08 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.417 179.438 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -150.19 140.45 22.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.913 0.387 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.51 116.98 30.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.283 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -22.54 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.321 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.49 -23.44 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.75 65.22 0.15 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.663 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -173.32 -171.49 0.71 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.8 m -144.35 132.4 21.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG22 ' SG ' ' A' ' 7' ' ' CYS . 8.8 t -100.53 113.84 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.22 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -97.42 116.1 28.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.452 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 19' ' ' ALA . 1.9 m -65.98 -171.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.644 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.37 179.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 111.078 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HD2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -89.48 -41.78 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -84.95 -112.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.963 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -76.24 -92.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.657 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.99 153.74 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.582 -179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.6 t80 -91.79 148.27 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.45 89.64 0.01 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.682 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.3 88.8 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.181 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -92.86 118.38 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.394 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -36.7 28.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.465 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.91 132.72 33.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.781 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -55.38 -39.55 70.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.389 . . . . 0.0 110.563 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.46 -35.31 77.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.06 -27.43 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.959 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -58.89 -53.99 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -58.98 -37.72 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.241 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -35.86 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.244 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 mp -68.31 -42.94 78.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.965 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG21 ' HD1' ' A' ' 14' ' ' TYR . 62.1 t -62.97 -36.17 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD2' HE22 ' A' ' 55' ' ' GLN . 9.2 mmm180 -62.28 -41.13 98.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.044 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 -35.52 77.59 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -67.34 -17.56 64.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.743 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.552 HE22 ' HD2' ' A' ' 52' ' ' ARG . 27.5 mt-30 -67.22 -166.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.26 76.67 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.84 164.94 25.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HD3' ' HB2' ' A' ' 61' ' ' SER . 9.4 tttm -79.27 -166.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -89.44 -18.19 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.39 56.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.555 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB2' ' HD3' ' A' ' 58' ' ' LYS . 1.4 t -89.08 86.68 6.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.977 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -99.99 140.13 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 123.44 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.53 87.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.84 35.79 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.011 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.35 145.85 99.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.691 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.16 -42.05 72.55 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.398 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 p -82.97 -20.3 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -89.07 122.17 32.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.86 161.13 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.874 0.369 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 37.7 m-85 -135.25 162.62 32.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.117 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.779 ' HB ' HD12 ' A' ' 37' ' ' ILE . 4.5 pt -128.72 157.71 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.596 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.24 144.03 35.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -131.79 -163.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.448 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 23.5 mtp85 -138.59 130.8 28.49 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 25.5 t -78.33 163.09 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.988 178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.36 -29.43 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 84.2 m -73.04 5.05 3.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.285 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.69 13.19 76.13 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' HG2' ' HB2' ' A' ' 9' ' ' CYS . 9.9 mmt180 -80.45 -161.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 111.374 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.31 156.03 31.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.771 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.698 HD12 HG21 ' A' ' 30' ' ' VAL . 18.5 mt -145.04 -176.55 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.714 0.292 . . . . 0.0 111.149 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 38.8 p90 -139.06 138.33 37.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.95 0.405 . . . . 0.0 111.491 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.4 t -155.82 -172.39 4.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 150.25 38.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.741 0.305 . . . . 0.0 110.8 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' HH21 ' A' ' 40' ' ' ARG . 3.7 tt0 -55.93 110.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.271 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.76 -11.12 1.68 Allowed Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.93 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . . . -73.68 107.74 6.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 111.494 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.19 -38.8 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.0 110.178 178.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 9.9 p -147.11 117.62 7.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.736 177.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.748 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 1.1 tpt85 -90.0 -177.38 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 137.32 19.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.53 121.85 39.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.88 -21.48 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.06 -21.02 64.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.755 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.12 63.8 0.19 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.607 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -176.38 1.38 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -142.75 131.87 23.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.748 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 40.2 t -98.45 110.81 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.146 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -92.48 114.2 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.884 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' PHE . 22.5 t -61.65 170.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 177.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -54.77 -173.35 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.146 0.498 . . . . 0.0 111.687 -178.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.44 -34.36 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.54 -131.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.373 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 36' ' ' ARG . 1.2 mmm180 -73.65 -79.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.693 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.779 HD12 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.37 151.61 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.524 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -92.53 150.58 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.121 178.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 46.36 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.22 -0.514 . . . . 0.0 113.069 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.562 HH21 ' HG3' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -89.67 87.63 7.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.022 0.439 . . . . 0.0 109.984 178.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.15 108.38 20.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.628 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -31.03 37.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.14 128.91 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.57 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -54.95 -37.91 67.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.01 -42.2 81.07 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.034 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.67 -22.82 65.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.955 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.15 -54.36 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.027 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 t -59.96 -39.69 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.39 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.193 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.862 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.0 mp -68.48 -41.34 80.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.25 -43.6 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -62.44 -39.71 94.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.406 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -33.7 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -67.58 -19.5 65.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.679 178.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 19.3 mt-30 -67.57 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.969 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 2.1 tt0 -74.73 88.03 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.73 173.69 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -78.92 155.64 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -89.95 171.59 9.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.53 0.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.547 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.86 116.89 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.713 0.292 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.33 -29.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.45 -8.71 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -75.25 -56.37 4.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -96.88 88.08 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.669 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 5.9 m120 -63.1 152.1 84.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.02 -40.68 68.69 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.56 2.173 . . . . 0.0 112.174 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -12.24 57.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -89.01 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -174.45 5.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.883 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -107.82 158.04 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.689 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.7 pt -128.68 158.16 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.304 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.435 HD13 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -120.88 148.74 23.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.905 0.383 . . . . 0.0 110.454 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.72 -167.98 2.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.554 -178.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ARG . 9.2 mtp180 -140.24 129.61 23.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.879 0.371 . . . . 0.0 111.75 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 t -77.33 164.5 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.209 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.61 -29.83 70.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.869 0.366 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 82.0 m -73.31 4.79 4.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.319 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.8 16.51 70.17 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -80.06 -167.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.405 -179.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.43 146.27 18.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.846 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -144.07 -176.56 5.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 111.499 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 16.9 p90 -136.15 141.73 44.14 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 8.6 t -155.25 -171.56 3.85 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 147.96 38.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.807 0.337 . . . . 0.0 110.974 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 3.5 tm-20 -57.53 107.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.96 -6.21 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.824 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.27 115.1 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.76 0.315 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' H ' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -89.22 -49.52 6.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.29 107.88 4.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.722 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -90.41 -174.15 4.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.963 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.1 ttmt -145.62 140.16 27.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HG3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -95.78 120.55 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.931 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -15.01 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -67.67 -20.61 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.444 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.3 54.95 0.18 Allowed Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.628 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -171.53 -171.65 0.95 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 111.294 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 86.5 m -140.65 135.49 31.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.41 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.722 ' HB ' ' HG2' ' A' ' 22' ' ' ARG . 21.2 t -100.42 114.94 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 111.628 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -93.19 115.78 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.903 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -64.73 -169.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.025 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -56.77 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 111.383 -179.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -46.83 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -84.73 -107.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.56 -90.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 178.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.689 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.85 155.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.599 -179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -91.69 148.09 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.105 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.57 91.41 0.01 OUTLIER Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.836 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -90.9 88.89 7.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.985 0.422 . . . . 0.0 110.209 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -95.72 112.44 24.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.469 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -34.23 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.985 0.421 . . . . 0.0 110.164 178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.73 131.59 34.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.906 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -56.46 -34.56 66.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -44.02 83.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -25.7 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.719 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.26 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -39.89 86.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.439 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.5 -35.91 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.322 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.768 HD22 ' HB2' ' A' ' 41' ' ' ALA . 3.6 mp -68.31 -43.41 77.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.8 -44.65 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.261 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -61.65 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -34.36 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -67.43 -23.33 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.637 178.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 13.3 mt-30 -67.69 -171.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.488 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -78.81 102.67 8.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.14 156.35 33.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.821 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -78.49 137.37 37.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.054 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.76 -6.96 53.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.25 66.67 0.24 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.81 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.016 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.93 161.49 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -95.71 -1.92 48.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.007 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -73.11 -41.79 63.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 71' ' ' GLU . 22.5 m -97.48 93.41 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.6 m-80 -67.6 146.1 98.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.89 -39.8 77.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.59 2.193 . . . . 0.0 112.355 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -82.3 -4.8 57.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -88.88 161.54 16.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.32 -88.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.773 0.32 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.53 160.67 32.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.969 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 19' ' ' ALA . 8.5 pt -128.11 161.44 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.675 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -127.08 149.52 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.112 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.596 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -142.3 -167.6 2.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.945 -178.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.624 ' C ' HG23 ' A' ' 30' ' ' VAL . 16.6 mtp85 -139.46 128.08 23.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.858 0.361 . . . . 0.0 111.886 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.9 t -77.38 165.76 24.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.42 -30.7 71.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.688 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 95.4 m -72.83 4.81 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.443 177.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.49 15.97 72.32 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.688 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 2.6 mtp85 -80.31 -166.11 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.37 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.55 150.98 21.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.828 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -144.23 -172.15 3.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.966 0.412 . . . . 0.0 111.606 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 33.7 p90 -139.32 139.94 37.43 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.095 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 16.2 t -155.76 -176.04 5.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.6 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.32 151.6 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' NH2' ' A' ' 40' ' ' ARG . 1.8 tt0 -56.93 107.91 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.125 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.6 -6.74 3.0 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.82 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.831 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -73.28 116.57 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' VAL . 16.5 mmtp -88.39 -44.66 10.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 31' ' ' ASN . 1.3 p -147.96 118.13 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -94.22 -153.67 0.38 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.501 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 28' ' ' ARG . 4.2 tttt -150.49 149.54 30.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.361 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.72 124.47 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.347 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 25' ' ' VAL . 2.1 t -68.0 -18.88 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t -68.94 -21.88 64.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.5 61.71 0.21 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.535 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 1.7 mtt180 -173.12 -164.52 0.24 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 111.235 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 91.2 m -140.51 140.9 35.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.647 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' C ' ' A' ' 6' ' ' ARG . 0.8 OUTLIER -108.9 125.53 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.485 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HA ' HG22 ' A' ' 21' ' ' THR . 6.2 t-20 -100.27 124.74 46.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.739 178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.23 -169.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.886 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 179.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 111.101 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -43.06 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -84.99 -110.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.009 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.685 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.37 153.34 7.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.695 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -92.63 149.0 21.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.188 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.27 89.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.069 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 8.7 tpt180 -91.55 89.46 7.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.857 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.68 113.15 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.757 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -82.81 -33.09 27.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.099 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -86.77 129.94 34.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.903 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 70.9 t80 -56.35 -40.49 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.886 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -42.57 85.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HG2' HD13 ' A' ' 50' ' ' LEU . 42.7 tt0 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.69 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.42 -63.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.099 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.7 m -59.08 -32.18 69.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -69.59 -36.19 76.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.701 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.2 mp -68.27 -42.03 80.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.453 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' ALA . 23.0 t -63.64 -38.53 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.801 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -62.32 -37.59 86.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.206 179.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -68.31 -37.63 80.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.812 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.9 -18.66 65.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.721 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.746 HE21 ' HG2' ' A' ' 56' ' ' GLU . 2.9 mm100 -67.81 -155.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.399 0.619 . . . . 0.0 111.516 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.746 ' HG2' HE21 ' A' ' 55' ' ' GLN . 5.3 pt-20 -73.68 -142.76 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.702 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.86 137.85 44.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.958 -179.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 163.71 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.952 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.69 167.7 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.26 33.23 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.559 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -88.91 -69.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.63 41.68 28.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' O ' ' HE3' ' A' ' 69' ' ' LYS . 4.6 m-85 -63.09 115.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 91.79 6.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 7.3 m-20 -70.5 148.92 95.53 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.814 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.07 -45.71 30.15 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.539 2.159 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -82.8 1.37 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 4.0 ttmm -89.03 -91.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -82.74 -86.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 3.5 m-85 -105.66 157.54 17.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.096 0.474 . . . . 0.0 111.223 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.6 pt -128.21 156.87 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.747 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.44 HD13 HD23 ' A' ' 50' ' ' LEU . 1.1 mp -121.2 150.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -144.4 -163.86 1.78 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.736 -178.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 4.5 mtm105 -144.16 124.03 13.48 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.873 0.368 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 t -78.97 161.6 26.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.188 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -20.12 59.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.402 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 m -72.54 4.39 3.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.04 0.448 . . . . 0.0 109.937 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.04 88.04 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.76 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.07 -160.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 111.376 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . . . -155.41 153.43 30.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mt -144.23 -175.3 4.57 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.696 0.284 . . . . 0.0 111.487 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 31.7 p90 -138.78 143.62 39.03 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.43 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 10.8 t -155.08 -171.79 3.95 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.26 145.39 41.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.84 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.26 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.07 -4.97 2.15 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.827 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.4 113.25 11.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.851 0.358 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.67 -45.44 8.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.4 p -144.91 111.36 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.82 -163.27 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.662 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 3.0 tttp -149.98 144.01 25.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -98.42 121.84 40.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.672 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 t -68.97 -23.17 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 t -69.82 -16.95 63.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.59 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.68 58.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.99 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -169.62 -165.16 0.48 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.89 0.376 . . . . 0.0 111.408 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 92.8 m -138.93 134.07 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.269 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 3.1 t -97.82 110.94 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.133 0.492 . . . . 0.0 111.61 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 116.4 28.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.6 m -65.69 -168.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.047 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -57.26 -178.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 111.141 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -88.87 -47.93 7.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.239 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -104.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.202 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 7.1 mtm180 -76.92 -95.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.28 152.88 8.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.09 148.73 21.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.164 178.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.66 91.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.912 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.52 89.88 6.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -94.14 114.96 27.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.965 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -33.95 23.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.327 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.93 139.51 30.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -58.04 -48.73 79.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -36.2 82.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.099 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.708 ' HG3' HD13 ' A' ' 50' ' ' LEU . 18.2 tp10 -68.44 -23.68 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.12 -57.58 12.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.179 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.2 m -59.15 -36.08 74.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.17 -35.9 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mp -68.41 -40.99 81.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 47' ' ' ALA . 54.4 t -63.94 -40.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.232 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 17.3 mtp85 -62.39 -39.03 91.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -35.16 77.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.192 0.52 . . . . 0.0 109.724 177.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 38' ' ' PHE . 1.1 mm? -68.01 -17.93 64.56 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.874 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 1.5 mm-40 -67.17 -160.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.237 0.542 . . . . 0.0 111.307 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -75.79 -146.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.32 178.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 56' ' ' GLU . 2.0 pt-20 -76.67 166.34 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -79.04 173.27 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.2 142.93 27.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.9 34.2 4.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.06 23.11 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -95.78 169.41 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.24 -169.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.8 -164.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.9 t -96.3 164.2 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.649 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 19.2 m-20 -62.99 142.61 97.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.08 -32.63 75.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.121 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.3 p -82.45 -9.0 59.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.646 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.649 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -88.61 169.82 11.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -178.33 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.878 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.5 157.66 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.748 ' HB ' HG21 ' A' ' 37' ' ' ILE . 13.0 pt -128.36 164.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.769 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -130.31 151.26 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.246 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.74 -162.27 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.535 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 6.7 mtp85 -135.15 120.06 18.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.956 0.407 . . . . 0.0 111.077 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.87 149.56 34.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.331 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -60.19 -19.07 52.44 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.559 -176.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.816 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 35.0 t -72.38 5.93 2.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.072 0.463 . . . . 0.0 109.816 176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 83.56 -0.94 89.39 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.357 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -84.43 -159.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 0.0 111.538 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . . . -155.62 148.25 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.316 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 48.1 mt -137.64 177.39 7.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.798 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.691 ' HD1' HG21 ' A' ' 51' ' ' VAL . 41.9 p90 -134.36 143.0 47.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.6 t -154.48 -170.7 3.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.54 148.36 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.976 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.63 109.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.7 -6.22 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.88 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.02 110.74 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.649 ' HG2' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.38 -47.32 8.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.202 179.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -147.12 113.65 5.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 177.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.645 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -87.49 -160.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.339 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.01 146.22 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.95 125.73 44.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.99 -24.53 30.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.897 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.93 -28.81 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 130.61 66.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.452 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -172.7 -165.01 0.29 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 57.3 m -139.81 135.69 33.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.715 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.829 HG22 ' HB3' ' A' ' 7' ' ' CYS . 40.3 t -95.74 108.35 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.209 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 116.12 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.267 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.2 m -66.89 -170.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.633 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -89.89 -45.38 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.537 ' H ' ' HG2' ' A' ' 35' ' ' ARG . 1.4 ptp180 -84.84 -106.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.163 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 3.0 mtt180 -76.71 -92.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 111.094 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.748 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -155.43 157.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -178.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -91.65 149.0 21.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.157 178.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' H ' ' HD1' ' A' ' 38' ' ' PHE . . . 44.89 92.09 0.01 OUTLIER Glycine 0 CA--C 1.518 0.243 0 C-N-CA 121.087 -0.578 . . . . 0.0 113.142 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -90.29 89.54 7.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.08 0.467 . . . . 0.0 109.876 178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -94.37 120.23 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.624 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -82.85 -39.82 21.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.3 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.49 136.2 33.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.08 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -56.66 -36.69 69.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.603 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -43.06 88.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.683 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.22 -25.3 65.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.87 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.114 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -35.23 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.57 -39.18 77.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.008 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 41' ' ' ALA . 1.9 mt -67.77 -38.73 83.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG21 ' HD1' ' A' ' 14' ' ' TYR . 57.4 t -65.12 -40.65 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 6.5 mmt-85 -61.12 -40.06 92.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.22 -36.26 79.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.496 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -67.12 -18.68 65.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.793 178.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 18.0 mm100 -67.35 -169.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.265 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.9 39.72 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.13 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.7 163.75 26.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -78.93 148.38 32.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -89.72 -78.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.992 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.52 4.48 1.22 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.81 -176.58 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 87.6 m -97.77 26.38 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -79.09 -16.98 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.93 133.94 36.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.3 115.09 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.619 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 2.9 m-20 -81.26 152.99 71.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.3 -34.31 97.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.891 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.8 t -82.75 -17.84 42.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -88.62 87.45 7.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 70' ' ' ARG . 3.9 ptp180 -81.66 140.16 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.845 0.355 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -113.75 155.41 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.721 HD11 ' HB3' ' A' ' 19' ' ' ALA . 4.1 pt -128.84 161.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.405 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.589 HG21 ' CD1' ' A' ' 54' ' ' LEU . 2.0 mp -125.65 148.59 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.103 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.561 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -144.51 -161.97 1.39 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -178.247 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -133.7 118.92 18.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.049 0.452 . . . . 0.0 111.14 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.765 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -77.29 152.57 34.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.273 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' THR . 15.9 t0 -59.78 -21.45 60.8 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.866 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.79 ' HB2' ' HG3' ' A' ' 11' ' ' ARG . 72.0 m -72.32 6.77 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.082 0.467 . . . . 0.0 110.043 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 81.95 1.15 90.2 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.79 ' HG3' ' HB2' ' A' ' 9' ' ' CYS . 3.2 mtt180 -83.75 -158.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.142 0.496 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB3' HG13 ' A' ' 51' ' ' VAL . . . -155.1 148.18 24.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.237 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -140.9 177.74 7.84 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.054 0.455 . . . . 0.0 112.003 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' HD2' HG21 ' A' ' 51' ' ' VAL . 22.1 p90 -130.18 144.26 51.26 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.017 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.0 t -154.46 -169.81 3.34 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.633 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 2.5 tm-20 -55.93 106.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.145 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.46 -3.5 2.13 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.806 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.56 112.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.726 0.298 . . . . 0.0 110.915 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -88.42 -45.7 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.626 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.04 110.18 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.88 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . 3.7 mmm-85 -87.01 -160.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.383 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 1.9 ttmp? -149.74 146.3 27.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 111.139 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.23 125.61 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.481 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.92 -22.9 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.066 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.9 -19.54 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 121.58 63.67 0.23 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.661 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 2.5 mtm180 -172.71 -164.14 0.25 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.826 0.346 . . . . 0.0 111.001 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 88.4 m -138.24 137.08 37.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.576 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 7' ' ' CYS . 61.0 t -95.77 111.52 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.341 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.92 117.7 31.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.133 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.8 m -65.91 -167.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.841 178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.84 -179.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.063 -179.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.72 -46.83 8.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.198 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -85.03 -106.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.103 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -76.57 -94.09 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.772 0.32 . . . . 0.0 111.1 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.487 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -153.87 157.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' HD21 ' A' ' 54' ' ' LEU . 5.4 t80 -91.1 145.09 24.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.55 95.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.184 0 CA-C-N 116.186 -0.461 . . . . 0.0 113.328 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.47 89.54 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.106 0.479 . . . . 0.0 110.022 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 50' ' ' LEU . . . -93.41 122.06 35.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.453 -178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -40.67 23.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.175 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.84 128.91 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.699 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -55.62 -37.11 67.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.865 0.364 . . . . 0.0 110.635 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -37.51 83.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.3 -28.73 68.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.349 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 51' ' ' VAL . . . -59.37 -42.77 92.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.671 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -49.06 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.453 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 50' ' ' LEU . 1.9 pt-20 -67.98 -31.88 71.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -66.5 -49.11 67.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 47' ' ' ALA . 61.9 t -63.05 -27.03 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.43 -44.57 94.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.092 178.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.06 -31.35 72.18 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.589 ' CD1' HG21 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.208 177.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 27.5 mt-30 -67.16 -178.82 0.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.391 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.32 96.41 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.91 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.42 160.91 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -78.74 142.59 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -178.44 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.73 10.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -88.79 -68.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 157.93 45.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.72 -80.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -68.7 147.53 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.5 p -96.37 162.18 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.023 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.54 148.73 70.41 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.19 -41.03 80.92 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.499 2.133 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -8.25 59.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -88.61 101.44 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 133.25 35.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.877 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 16.8 m-85 -135.13 161.51 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.707 ' HB ' HG21 ' A' ' 37' ' ' ILE . 3.1 pt -128.42 150.76 34.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.364 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.98 149.62 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.486 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -143.15 -168.87 2.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.637 -178.735 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -142.11 120.45 12.34 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.937 0.398 . . . . 0.0 111.924 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 34.2 t -78.65 159.42 28.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.274 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -60.74 -19.65 59.48 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.371 -177.423 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -72.74 4.68 3.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.081 0.467 . . . . 0.0 109.881 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' ASP . . . 78.36 5.87 87.75 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.696 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -85.68 -163.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.508 -179.642 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.98 156.26 34.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.64 -178.3 5.94 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.819 0.342 . . . . 0.0 111.37 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 12.0 p90 -136.37 140.73 43.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.058 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 7.1 t -155.11 -175.13 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 153.7 35.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.76 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -57.77 111.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.223 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.35 -9.57 2.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.956 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -74.36 107.69 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD3' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -89.23 -42.78 11.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.425 ' OG1' ' HD3' ' A' ' 20' ' ' LYS . 2.6 p -146.35 113.37 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.715 ' HB3' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.55 -163.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.415 179.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 29' ' ' THR . 4.5 ttmt -150.39 144.51 25.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.052 0.453 . . . . 0.0 111.028 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 114.88 27.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.176 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -21.9 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.18 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -69.02 -25.44 64.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.474 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' ARG . . . 130.82 61.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.729 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -173.44 -165.45 0.27 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.961 0.41 . . . . 0.0 111.256 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 89.9 m -142.43 136.02 29.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 22' ' ' ARG . 16.0 t -96.95 115.15 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 111.484 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -99.76 114.2 27.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.232 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.652 HG11 ' O ' ' A' ' 19' ' ' ALA . 2.1 m -65.76 -170.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.536 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 32' ' ' VAL . 5.8 ttpp -57.17 -178.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.882 0.372 . . . . 0.0 110.93 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -89.02 -45.67 9.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.329 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mmt-85 -84.65 -107.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.266 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' HB2' ' H ' ' A' ' 37' ' ' ILE . 15.1 mtp85 -77.29 -94.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.093 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.707 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -155.1 153.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -92.06 150.06 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.389 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.29 90.44 0.01 OUTLIER Glycine 0 CA--C 1.517 0.199 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.953 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.22 90.45 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.904 0.383 . . . . 0.0 110.156 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.76 ' HB2' HD12 ' A' ' 50' ' ' LEU . . . -97.6 114.09 25.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.761 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -82.57 -34.37 27.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.261 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.32 131.43 34.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -56.82 -33.99 67.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.689 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -47.73 71.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.43 -23.57 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.12 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -39.62 86.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.44 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.278 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' A' ' 41' ' ' ALA . 2.9 mt -67.91 -41.17 83.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.737 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 71.0 t -64.46 -46.36 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.242 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.475 -179.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -66.64 -33.0 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -22.95 65.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.563 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 51' ' ' VAL . 83.9 mt-30 -67.09 174.51 3.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.019 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 88.86 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.952 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.25 142.28 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 118.15 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -90.82 -28.09 18.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.58 61.12 6.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.396 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 t -89.05 -16.29 31.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.79 178.12 9.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.59 -175.0 4.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.88 -58.25 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.14 95.91 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.754 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -68.29 112.99 12.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.26 -42.54 7.49 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.633 2.222 . . . . 0.0 112.307 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.32 -32.67 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.351 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 6.3 mttp -88.36 173.01 8.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -82.39 147.77 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.039 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.892 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.17 153.08 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.058 0.456 . . . . 0.0 111.162 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.774 HD11 ' HB3' ' A' ' 19' ' ' ALA . 3.1 pt -129.3 158.26 41.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.587 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 47' ' ' ALA . 1.5 mp -121.64 149.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.306 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.559 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -146.34 -161.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.882 -178.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' ALA . 5.2 mtp180 -141.82 132.56 25.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.829 0.347 . . . . 0.0 111.622 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 11' ' ' ARG . 44.0 t -77.04 160.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.105 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -26.93 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.517 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HG3' ' A' ' 11' ' ' ARG . 34.8 t -72.81 4.59 3.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.191 177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.63 10.68 78.96 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.534 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HG3' ' HB3' ' A' ' 9' ' ' CYS . 2.0 mtp180 -81.35 -161.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 54' ' ' LEU . . . -157.56 151.1 23.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt -147.06 -175.58 4.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 111.793 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HD2' HG21 ' A' ' 51' ' ' VAL . 43.7 p90 -138.21 142.28 39.98 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 5' ' ' PHE . 9.6 t -155.35 -170.27 3.41 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -74.25 144.38 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 111.164 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 52.8 tt0 -56.33 106.32 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.299 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.39 -2.8 2.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.735 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 3' ' ' ILE . . . -75.1 114.57 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -45.07 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -144.45 115.88 8.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -168.36 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -149.5 140.46 22.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 t -97.57 124.43 41.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.393 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.41 -23.64 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.2 t -69.53 -20.49 63.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.649 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' ' 28' ' ' ARG . . . 120.52 67.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 29.1 mtm-85 -172.25 -170.25 0.71 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 m -140.79 131.76 26.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 7' ' ' CYS . 44.3 t -97.96 111.33 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.351 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -93.09 119.03 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 19' ' ' ALA . 3.1 m -65.88 -168.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.938 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.661 ' HG3' ' HB2' ' A' ' 38' ' ' PHE . 3.4 tttt -57.85 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.94 0.4 . . . . 0.0 111.245 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -90.0 -45.72 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.34 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -85.79 -106.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.278 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -77.29 -91.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.559 HG21 ' HB ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -154.85 156.5 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.574 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 36.0 t80 -90.15 143.76 26.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.108 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.513 ' HA3' HD13 ' A' ' 50' ' ' LEU . . . 46.92 95.99 0.01 OUTLIER Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.178 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 94.79 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.198 0.523 . . . . 0.0 110.257 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.11 121.86 40.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.721 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -39.2 21.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.405 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.67 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.001 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -41.42 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.643 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.3 -36.07 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 5.2 mt-10 -67.63 -33.97 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.648 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' ' 4' ' ' ILE . . . -59.67 -52.02 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.976 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -38.36 83.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.57 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -68.49 -37.75 80.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 111.055 -179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD13 ' HA3' ' A' ' 39' ' ' GLY . 1.0 OUTLIER -68.05 -41.86 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 47' ' ' ALA . 99.5 t -64.6 -41.74 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.607 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -63.66 -37.33 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.371 179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.7 -31.68 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.607 HD13 ' HB1' ' A' ' 12' ' ' ALA . 2.9 mt -66.46 -30.64 71.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.48 177.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 21.7 mm100 -66.23 -171.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.378 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.75 85.62 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.026 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 11.2 tt0 -77.12 170.12 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.761 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 4.5 ttmt -79.26 131.66 36.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -89.91 -36.06 15.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.54 58.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.388 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.74 133.98 34.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.055 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 0.57 50.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 162.14 20.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.77 44.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -96.9 144.24 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -72.28 157.01 89.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.79 -34.8 81.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.556 2.171 . . . . 0.0 112.239 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -7.69 59.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.8 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.33 167.53 13.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.821 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.56 -92.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.944 179.765 . . . . . . . . 0 0 . 1 stop_ save_