data_1uqv_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 1uqv _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG22 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.611 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.598 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 86' ' ' LEU . 4.8 tp-100 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.506 ' HG ' ' H ' ' A' ' 83' ' ' ASP . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.506 ' H ' ' HG ' ' A' ' 82' ' ' CYS . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.514 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.405 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 HD13 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 HG22 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 54' ' ' ASP . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.66 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' HA ' HD11 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.499 ' HA ' HD22 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 91' ' ' LYS . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.427 ' N ' HG23 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 HG12 HD21 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD21 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 69' ' ' LEU . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 40' ' ' VAL . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.524 ' HA ' HD11 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HZ1' HD13 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.522 HG21 ' HZ1' ' A' ' 98' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' N ' HG23 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.522 ' HZ1' HG21 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 HD21 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.522 HG21 HD12 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.45 HG21 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' H ' ' HG1' ' A' ' 53' ' ' THR . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 48.7 m-80 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' HD11 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.422 ' HB2' HD12 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.734 0.302 . . . . 0.0 111.299 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG22 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HG2' HD21 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HZ1' HD23 ' A' ' 48' ' ' LEU . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 HG12 HD21 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' ASP . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.505 HE21 ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD13 HG21 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.423 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' HA ' HD22 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.515 ' HG ' ' H ' ' A' ' 37' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.515 ' H ' ' HG ' ' A' ' 36' ' ' SER . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.488 HG21 HD21 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HG3' HG21 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 HG21 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 54' ' ' ASP . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.453 ' HB3' HD13 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.474 ' HA ' HD11 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.572 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 47' ' ' THR . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.553 HG12 HD21 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HG3' HD21 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD21 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' HB3' HD13 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.46 ' HG ' ' HB3' ' A' ' 88' ' ' LYS . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.644 ' HB3' ' HZ3' ' A' ' 91' ' ' LYS . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HZ3' ' A' ' 93' ' ' LYS . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.782 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 HG12 HD21 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG3' HG21 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.502 HG21 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD21 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 HD13 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.588 ' HA3' HD11 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD11 ' HA3' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' HA ' HD11 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 47' ' ' THR . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.614 HD21 ' HZ1' ' A' ' 88' ' ' LYS . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 56' ' ' LEU . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.608 HD21 HD11 ' A' ' 90' ' ' ILE . 10.1 m120 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.614 ' HZ1' HD21 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.608 HD11 HD21 ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.574 0.226 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HD21 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.594 HG21 HD12 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 HD21 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' HD11 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.438 ' HE3' HG23 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HG ' ' HB2' ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.506 HG12 HD22 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.536 HG21 HD12 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.435 HG21 ' HE2' ' A' ' 98' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.45 HG22 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.691 0.282 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' HD22 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.641 0.258 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 HG22 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 HG12 HD22 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.507 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HB3' HG22 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.514 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 95' ' ' LEU . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.663 0.268 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.631 ' HA ' HD13 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.43 HE22 ' NH2' ' A' ' 61' ' ' ARG . 8.4 tp-100 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH2' HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 90' ' ' ILE . 11.2 m120 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HZ3' ' HA ' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HG ' HD21 ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' ASP . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' HG12 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.475 ' HA ' HD11 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HA ' HD22 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.457 HD13 HD23 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG22 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' HG ' HD21 ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG ' ' A' ' 44' ' ' CYS . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.463 HG21 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.53 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB3' HG21 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.569 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 86' ' ' LEU . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' HG21 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.508 ' HA ' HD11 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HE2' HD11 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.453 ' HA ' HD11 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' HD22 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.593 HG22 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' N ' HG21 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HE2' HG22 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' HG ' ' HG3' ' A' ' 88' ' ' LYS . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' O ' HD11 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HG3' ' HG ' ' A' ' 82' ' ' CYS . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.44 HG21 HD12 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG3' HG21 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.525 ' HA ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD22 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.44 HD12 HG21 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.633 0.254 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.55 HG21 HD12 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.503 ' HA ' HD22 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD12 HG21 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 HD11 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' HG2' ' HD3' ' A' ' 88' ' ' LYS . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 54' ' ' ASP . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD21 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG2' ' HZ1' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 69' ' ' LEU . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' HB2' HG13 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HZ1' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 70' ' ' LEU . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.487 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.503 ' HA ' HD21 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.449 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.524 ' HA ' HD11 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.475 ' HA ' HD22 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.62 HG12 HD21 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 69' ' ' LEU . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HB2' HG13 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' A' ' 85' ' ' ASP . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.418 ' H ' ' HG ' ' A' ' 82' ' ' CYS . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HA ' HD11 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.9 p -138.28 -21.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -62.68 109.83 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.1 tpt -139.34 -69.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -128.07 -69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 58.45 -171.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.52 ' HB2' ' NE1' ' A' ' 35' ' ' TRP . 20.1 mm-40 -121.31 3.44 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.07 110.11 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -53.78 -24.37 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.167 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -74.19 -14.73 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -104.42 -12.93 16.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.52 ' NE1' ' HB2' ' A' ' 30' ' ' GLU . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG22 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD21 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.611 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.598 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 86' ' ' LEU . 4.8 tp-100 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.506 ' HG ' ' H ' ' A' ' 83' ' ' ASP . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.506 ' H ' ' HG ' ' A' ' 82' ' ' CYS . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.405 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 HD13 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.29 -15.23 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.0 t 64.88 164.9 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -159.08 106.26 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.6 mt -104.13 -72.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.24 89.63 0.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.718 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -136.93 12.06 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -104.65 115.42 30.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -109.37 -31.76 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -87.82 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.62 119.94 13.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -56.67 122.65 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.54 HD21 ' HE1' ' A' ' 35' ' ' TRP . 3.3 p-10 -130.9 143.91 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.67 -27.38 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.042 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.75 118.28 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.79 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -82.49 -13.84 56.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.402 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -15.24 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.19 10.44 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.54 ' HE1' HD21 ' A' ' 29' ' ' ASN . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 HG22 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 54' ' ' ASP . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.66 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' HA ' HD11 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.6 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' HD11 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.499 ' HA ' HD22 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 91' ' ' LYS . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.427 ' N ' HG23 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -54.18 -50.43 67.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.6 m 57.22 81.64 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.928 0.394 . . . . 0.0 110.664 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -96.83 127.95 43.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.748 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tp -135.48 -45.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.86 77.3 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.404 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.7 12.83 9.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -129.98 101.75 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.833 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 m -98.73 -45.07 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.774 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -124.55 122.13 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -169.43 178.17 4.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -145.66 178.98 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.38 179.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -133.12 -63.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.4 111.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -87.2 -6.89 58.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -62.97 -15.04 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -121.6 1.14 10.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 HG12 HD21 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD21 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 69' ' ' LEU . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 40' ' ' VAL . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.524 ' HA ' HD11 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HZ1' HD13 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.522 HG21 ' HZ1' ' A' ' 98' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' N ' HG23 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.522 ' HZ1' HG21 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.27 -68.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t 58.16 100.02 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.481 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 28.1 mtpp -62.62 117.77 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.3 mt -116.66 -75.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -114.71 32.37 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.481 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 5.0 p90 -140.4 70.23 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.857 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -103.42 97.16 7.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.713 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.8 p -144.36 7.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -81.68 173.49 12.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -139.13 -22.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.614 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -118.78 135.73 54.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.668 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 59.34 96.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.083 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -127.56 -62.85 1.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -63.19 99.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.66 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.33 -14.51 40.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.499 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.2 t -94.62 -14.77 24.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.56 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -99.89 22.0 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 HD21 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.522 HG21 HD12 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 HG21 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' H ' ' HG1' ' A' ' 53' ' ' THR . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 48.7 m-80 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HB2' HG21 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' HD11 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.422 ' HB2' HD12 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.04 -21.1 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 64.91 146.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.182 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -167.17 93.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 104' ' ' LEU . 2.8 mm? -108.31 -72.47 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -153.63 86.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.766 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -134.42 14.52 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.656 ' HB3' ' HZ2' ' A' ' 107' ' ' LYS . 8.0 mtpm? -100.19 103.57 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.861 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -89.83 152.56 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -75.06 175.11 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.6 ttp -86.22 25.58 1.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.17 156.37 12.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.976 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.29 116.2 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.02 -60.46 1.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.13 131.56 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -89.51 -8.77 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.0 p -75.8 -15.12 60.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -105.5 5.23 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.299 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG22 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD21 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HG2' HD21 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD21 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.513 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HZ1' HD23 ' A' ' 48' ' ' LEU . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.63 -71.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -114.28 155.77 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.478 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.73 112.7 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.13 -82.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -145.84 91.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -131.92 11.89 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.752 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' HB2' ' NZ ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -128.07 102.31 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.816 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.908 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -111.39 127.25 55.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -113.04 -18.47 12.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 138.46 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t30 64.52 149.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -80.76 103.2 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -125.27 -29.02 3.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.37 105.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -84.27 -10.44 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.3 m -73.23 -15.04 61.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -106.24 1.79 26.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 HG12 HD21 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' ASP . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.505 HE21 ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD13 HG21 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' HA ' HD22 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.08 -48.13 81.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.506 ' HG ' ' N ' ' A' ' 103' ' ' LYS . 35.1 t 62.11 161.01 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.271 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.506 ' N ' ' HG ' ' A' ' 102' ' ' SER . 75.8 mmtt -96.27 77.06 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.16 -47.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.677 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.09 98.73 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.79 -105.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.454 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.7 144.49 51.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.14 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.0 m -95.25 -6.12 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -103.07 155.95 18.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtt -101.84 28.14 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -59.33 -18.45 38.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.248 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -89.02 133.12 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.819 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -140.2 -70.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.66 121.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -66.98 -13.08 61.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.259 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -72.92 -15.15 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.06 -1.86 25.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.515 ' HG ' ' H ' ' A' ' 37' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.515 ' H ' ' HG ' ' A' ' 36' ' ' SER . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.488 HG21 HD21 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HG3' HG21 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 HG21 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 54' ' ' ASP . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' HB3' HD13 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.474 ' HA ' HD11 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.572 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 47' ' ' THR . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.01 -31.62 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.8 m -64.2 117.1 6.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 25.9 ttpp 60.93 106.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HG3' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -135.06 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.544 ' HG3' HD13 ' A' ' 104' ' ' LEU . 45.0 mt-10 -131.92 38.0 3.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.352 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.41 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 9.4 p90 -138.1 41.02 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -104.52 96.96 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.674 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.133 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.2 p -143.78 15.24 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 62.4 107.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.8 mtp -134.05 12.35 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.808 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -98.55 -65.24 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -131.38 135.49 47.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 39.9 tt0 -105.42 -71.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' OD2' ' HG2' ' A' ' 30' ' ' GLU . 41.8 m-20 -144.07 94.32 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -50.67 -24.75 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.481 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -90.28 -28.85 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.638 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -109.38 25.12 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.553 HG12 HD21 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HG3' HD21 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD21 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' HB3' HD13 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' HG ' ' HB3' ' A' ' 88' ' ' LYS . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.644 ' HB3' ' HZ3' ' A' ' 91' ' ' LYS . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HZ3' ' A' ' 93' ' ' LYS . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.15 -10.84 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p 54.06 -171.42 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.756 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 53.6 pttt -117.64 111.17 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.52 -76.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -125.72 98.59 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.05 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.756 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -103.91 11.56 35.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.791 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -130.74 93.74 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t 61.97 107.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -134.99 146.55 49.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.5 mtm -123.26 117.46 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -165.24 126.55 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -147.67 145.82 29.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.57 -23.51 8.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.28 112.26 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.15 -8.98 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.355 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -67.37 -20.15 65.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -101.73 -24.39 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 HG12 HD21 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG3' HG21 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.502 HG21 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD21 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 HD13 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.483 HG11 HD23 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.588 ' HA3' HD11 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD23 HG11 ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD11 ' HA3' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' HA ' HD11 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 47' ' ' THR . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.95 -12.08 60.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.3 m 60.79 177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.496 ' H ' ' HD3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -57.97 132.37 53.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.891 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.1 mt -108.9 -80.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -146.2 85.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -133.99 12.34 3.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -118.49 102.68 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.743 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.085 -179.746 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m 61.06 -83.98 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -115.88 -49.24 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 54.5 ttm 58.07 76.0 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -146.36 -40.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.711 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.95 140.56 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.578 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.7 -30.43 12.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.218 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.4 114.85 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -89.57 -12.55 39.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.57 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.6 p -69.16 -15.98 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.648 0.261 . . . . 0.0 111.09 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -107.53 7.53 28.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.263 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.614 HD21 ' HZ1' ' A' ' 88' ' ' LYS . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 56' ' ' LEU . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' HB3' HG23 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.608 HD21 HD11 ' A' ' 90' ' ' ILE . 10.1 m120 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.614 ' HZ1' HD21 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.608 HD11 HD21 ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.88 -25.2 68.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.4 m -61.51 133.65 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -163.07 90.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.77 -64.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.36 30.86 5.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -140.56 64.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -105.49 92.67 4.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.881 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.115 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 m -148.54 -11.61 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 59.44 -175.81 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 ptp -110.24 68.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -141.31 107.86 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -158.04 110.62 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.17 -48.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.33 124.8 22.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -70.68 -14.55 62.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.263 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 m -65.28 -15.02 62.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -101.7 -26.57 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.431 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.438 ' SG ' HD21 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.474 HG12 HD21 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.594 HG21 HD12 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD21 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD21 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' HD11 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.79 -70.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -168.49 145.23 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.657 ' HB2' ' HZ3' ' A' ' 103' ' ' LYS . 10.4 mtmp? -104.14 22.36 14.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.9 tp -128.89 -36.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.431 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.59 92.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.663 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.98 15.07 5.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -112.58 102.82 10.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.956 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t 56.77 86.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 56.82 -91.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.7 mmm -142.78 124.55 15.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -108.5 120.21 41.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -98.55 150.47 21.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.65 -46.52 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.988 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.66 132.41 48.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -87.59 -13.1 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.7 m -72.26 -16.13 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -102.15 -2.53 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.438 ' HE3' HG23 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HG ' ' HB2' ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.506 HG12 HD22 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.536 HG21 HD12 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD22 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.497 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.457 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.435 HG21 ' HE2' ' A' ' 98' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.45 HG22 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -65.42 -49.77 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t 56.14 91.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.63 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -157.03 110.69 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.62 -67.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.98 74.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -132.68 12.36 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -119.43 103.39 9.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.942 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.6 p 50.71 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.493 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -88.67 -10.14 49.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.5 ttp -78.08 142.26 38.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.548 ' N ' HD21 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -145.44 6.81 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.477 HD21 ' HE1' ' A' ' 35' ' ' TRP . 3.0 p-10 -99.11 151.64 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -130.12 -55.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.86 124.28 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -70.46 -17.07 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.245 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.69 -17.3 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -107.95 9.14 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.477 ' HE1' HD21 ' A' ' 29' ' ' ASN . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG12 HD22 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD11 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' HD11 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' HD22 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.74 -70.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -167.67 175.78 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 39.3 ttpt -64.2 130.28 43.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.9 tp -114.71 -53.56 2.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.018 0.437 . . . . 0.0 110.305 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -173.93 72.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.179 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.51 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 5.4 m95 -101.03 9.46 42.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 107' ' ' LYS . 8.4 mtpm? -119.94 92.53 3.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.88 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.2 m -82.99 134.71 35.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -114.68 9.34 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.0 mtt -80.43 -172.82 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.09 -54.64 26.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.332 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.523 HD22 ' HB2' ' A' ' 34' ' ' GLN . 61.7 t30 64.71 159.08 0.1 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.62 -22.49 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.51 135.86 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -78.03 -21.69 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -72.65 -14.87 61.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' HB2' HD22 ' A' ' 29' ' ' ASN . 14.8 mm100 -107.84 3.43 24.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.141 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 HG22 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 HG12 HD22 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.507 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HB3' HG22 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.514 ' HA ' HD11 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 95' ' ' LEU . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.99 -70.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -97.35 167.05 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 23.0 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 tp -127.34 -28.15 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.417 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.48 84.26 6.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.52 16.34 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.954 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -120.25 94.76 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.842 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.424 -0.271 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -124.02 135.33 53.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 111.004 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -93.58 113.96 26.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.9 mtt -104.54 132.25 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.55 167.95 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -66.66 149.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.59 -44.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.78 117.83 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -82.04 -8.54 59.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -72.57 -22.78 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -102.91 3.29 36.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.513 HG12 HD22 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.631 ' HA ' HD13 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.43 HE22 ' NH2' ' A' ' 61' ' ' ARG . 8.4 tp-100 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD21 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH2' HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.452 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' HG ' ' HA3' ' A' ' 67' ' ' GLY . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 90' ' ' ILE . 11.2 m120 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HB2' HD12 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HZ3' ' HA ' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.34 -37.88 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.9 p 52.13 16.96 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm 52.82 88.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.2 tp -102.5 -80.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -160.0 40.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -125.78 9.29 7.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.13 102.53 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.929 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m 61.05 15.26 6.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 0.0 111.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -79.66 140.85 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -69.59 99.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -161.99 167.72 24.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -56.16 112.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.17 -24.55 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.51 102.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.25 -8.34 54.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.292 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -100.71 -14.41 18.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.562 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -99.34 20.33 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' HG ' HD21 ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' ASP . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HA ' HG12 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HG ' ' A' ' 70' ' ' LEU . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' HA ' HD11 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HA ' HD22 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.457 HD13 HD23 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.69 -10.1 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -47.18 106.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.57 129.54 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.237 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -127.44 -71.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.1 76.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -134.36 12.26 3.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.12 113.09 16.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.973 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.936 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p 47.65 91.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.935 0.397 . . . . 0.0 111.273 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -115.24 170.23 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtp -84.7 -33.1 23.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 55.23 73.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.735 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.13 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.8 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -118.87 -32.36 4.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.92 111.31 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -77.37 -9.02 58.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -75.82 -15.19 60.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.11 11.78 17.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG22 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' HG ' HD21 ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD21 ' HG ' ' A' ' 44' ' ' CYS . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' HG21 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.463 HG21 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.53 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' HB3' HG21 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 86' ' ' LEU . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.25 -22.4 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t 58.02 -177.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.73 106.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.47 ' HG ' ' HG3' ' A' ' 105' ' ' GLU . 37.6 tp -107.23 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HG3' ' HG ' ' A' ' 104' ' ' LEU . 45.1 mt-10 -128.86 35.73 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -140.02 74.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -100.22 99.28 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.693 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.108 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -63.23 103.07 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 110.755 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.6 -174.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -166.19 162.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -143.88 -83.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.334 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.576 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 3.2 t-20 65.54 151.53 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -136.66 -42.35 0.61 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.14 107.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -87.09 -11.23 50.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.3 p -65.37 -15.86 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -122.28 11.04 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.526 HG12 HD21 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' HG21 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' HA ' HD11 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HE2' HD11 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.453 ' HA ' HD11 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' HD22 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.593 HG22 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' N ' HG21 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HE2' HG22 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -56.23 -39.34 72.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.6 m 58.08 -173.37 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 59.16 36.74 24.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.48 -29.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.63 69.31 7.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.43 14.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.176 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.41 98.45 3.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.916 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 m -130.85 120.74 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -82.74 97.19 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.0 ttp -92.83 -1.54 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 t30 60.31 91.75 0.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -106.05 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.696 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.24 -15.62 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HA ' ' HZ1' ' A' ' 103' ' ' LYS . 6.0 m-20 -82.76 132.48 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -89.3 -14.19 36.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -68.03 -16.98 64.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -99.87 -16.65 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.473 ' SG ' HD23 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' HG ' ' HG3' ' A' ' 88' ' ' LYS . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' O ' HD11 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HG3' ' HG ' ' A' ' 82' ' ' CYS . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD12 HG21 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -62.64 -21.55 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -66.32 -177.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.483 ' HZ1' ' HA ' ' A' ' 31' ' ' ASP . 59.9 mtpt 60.55 84.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mp -103.05 -71.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -173.61 88.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.727 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -129.47 14.83 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.664 ' HZ2' ' HB2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -131.18 97.04 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.813 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.1 p -153.0 -26.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -98.9 -45.83 5.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.8 ttm -159.46 99.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -72.84 -179.41 3.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -75.95 -172.93 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.49 -79.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -141.96 87.91 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -49.82 -28.32 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -85.59 -25.92 26.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.48 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -119.05 30.78 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 HG21 HD12 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG3' HG21 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HA ' HG13 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.525 ' HA ' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD22 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD12 HG21 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.06 -10.86 24.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.9 m 66.96 153.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -95.62 105.18 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 104' ' ' LEU . 3.5 mm? -103.78 -80.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -147.66 52.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -121.76 12.94 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -106.4 101.24 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m 58.43 95.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -103.76 -10.0 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.94 113.23 25.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -77.06 -13.65 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.37 137.71 24.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -101.6 -56.46 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.58 137.22 58.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.997 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -89.1 -7.32 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -68.84 -25.13 64.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.4 7.03 42.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.42 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.518 HG12 HD22 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.55 HG21 HD12 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD22 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.526 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' HA ' ' HB1' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.503 ' HA ' HD22 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD12 HG21 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -66.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 159.17 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.466 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 46.6 tptt -144.76 31.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -172.56 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.68 36.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.466 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -102.36 17.91 22.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.223 179.752 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -106.54 88.74 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.96 179.896 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 m -101.03 179.83 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -138.42 -38.67 0.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.7 mtp -112.24 -40.51 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.49 176.56 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.0 98.79 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.803 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.81 -40.99 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -51.3 124.27 11.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.254 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.01 -7.09 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -59.02 -19.65 45.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -99.62 -24.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 HD11 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' HG2' ' HD3' ' A' ' 88' ' ' LYS . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 54' ' ' ASP . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' HD13 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD13 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 102' ' ' SER . 16.3 t70 -76.81 -72.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.483 ' HG ' ' HG3' ' A' ' 103' ' ' LYS . 43.2 t 172.65 140.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 103' ' ' LYS . 9.5 mtmp? 63.03 139.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.73 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 104' ' ' LEU . 3.6 mm? -100.36 -76.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.609 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -160.32 62.4 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.38 11.02 21.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.95 98.34 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.1 p -93.9 146.34 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -161.16 -39.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.408 ' HG3' HD21 ' A' ' 28' ' ' ASN . 49.7 tpp -136.26 -54.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 HD21 ' HG3' ' A' ' 27' ' ' MET . 8.1 p30 -153.14 145.39 23.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.31 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -159.79 32.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.66 -35.62 7.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -46.85 106.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.308 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' HB2' ' HA2' ' A' ' 67' ' ' GLY . 11.4 p90 -87.36 -6.56 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -15.35 61.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -101.94 -17.03 16.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD21 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.563 ' HG2' ' HZ1' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD21 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB3' HD13 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 69' ' ' LEU . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 32' ' ' PHE . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' HB2' HG13 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HZ1' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CE1' HD12 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 70' ' ' LEU . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.81 -71.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.6 m -164.27 175.27 10.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -106.65 105.53 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.758 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.41 -53.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.82 96.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.453 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.64 14.01 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -131.47 107.73 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.939 179.929 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 m -151.91 166.43 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 57.92 97.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -123.59 172.28 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -134.79 -56.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.758 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -146.3 159.74 42.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -116.25 -39.72 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -71.25 158.44 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.748 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' O ' ' HA2' ' A' ' 67' ' ' GLY . 46.7 p90 -82.29 -6.83 59.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -62.34 -16.27 53.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -140.12 30.46 2.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.408 ' CG ' ' HA ' ' A' ' 32' ' ' PHE . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.487 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.503 ' HA ' HD21 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.449 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.524 ' HA ' HD11 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.475 ' HA ' HD22 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.51 -71.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -65.94 140.32 58.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.376 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -155.73 22.76 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 tp -97.74 -30.37 12.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.353 179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.96 87.58 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.362 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -121.32 16.14 11.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -104.61 101.22 10.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.648 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.91 -179.845 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.1 p -65.94 120.32 12.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -123.73 119.64 30.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.408 ' HE1' HD22 ' A' ' 29' ' ' ASN . 23.3 ptt? -120.22 165.57 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -88.74 111.92 22.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 HD22 ' HE1' ' A' ' 27' ' ' MET . 12.6 m120 -106.38 94.28 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -114.89 -22.73 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.32 127.22 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.772 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -86.88 -6.73 58.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.1 m -68.23 -14.96 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.538 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.29 10.26 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.62 HG12 HD21 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.538 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 69' ' ' LEU . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HB2' HG13 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' A' ' 85' ' ' ASP . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.418 ' H ' ' HG ' ' A' ' 82' ' ' CYS . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' HA ' HD11 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' NZ ' HD22 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HA ' HD13 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.2 -71.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 t -178.57 163.01 1.47 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -170.15 86.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.79 -64.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.557 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -138.65 32.33 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.223 0.535 . . . . 0.0 110.485 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -140.42 67.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -100.67 99.36 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 40' ' ' VAL . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 36' ' ' SER . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG21 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' ILE . 2.9 m-20 -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 90' ' ' ILE . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.504 HD11 HD12 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.439 HG12 HD23 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 95' ' ' LEU . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 60' ' ' LEU . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.704 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 61' ' ' ARG . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HA ' HD21 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 95' ' ' LEU . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 98' ' ' LYS . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD23 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 HD13 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HE2' HD12 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HA ' HD21 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 91' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.483 ' N ' HG22 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' SER . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.614 HG12 HD23 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.591 HG23 HD13 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 19.6 m120 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.547 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.734 0.302 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' SER . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG21 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HG2' HD23 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' ILE . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 75' ' ' LEU . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HE3' HG22 ' A' ' 40' ' ' VAL . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 40' ' ' VAL . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' SER . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG21 ' SG ' ' A' ' 57' ' ' CYS . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.541 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 45' ' ' ILE . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 41' ' ' ILE . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.455 HG23 HD12 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HE3' HG23 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 40' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 61' ' ' ARG . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' O ' HD22 ' A' ' 48' ' ' LEU . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.551 ' HG3' HG22 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB3' HD11 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 HG21 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' HA ' HD11 ' A' ' 48' ' ' LEU . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.806 HD13 HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 92' ' ' PHE . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD2' ' HG3' ' A' ' 71' ' ' PRO . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.586 ' HG3' HD23 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' H ' HG13 ' A' ' 66' ' ' VAL . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.782 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD23 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.657 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 ' CG1' ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.657 HD13 ' HA2' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 96' ' ' ILE . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.425 HG23 ' HE2' ' A' ' 98' ' ' LYS . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 48' ' ' LEU . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 93' ' ' LYS . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 92' ' ' PHE . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.543 ' HA ' HD12 ' A' ' 90' ' ' ILE . 85.0 m-20 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' HA ' HD11 ' A' ' 48' ' ' LEU . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.574 0.226 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' SG ' HD22 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD22 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 66' ' ' VAL . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.526 ' HE3' HG22 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG22 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD23 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 HD13 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 50' ' ' VAL . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG13 ' HG3' ' A' ' 49' ' ' GLU . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 75' ' ' LEU . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 91' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.691 0.282 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.547 HG12 HD23 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD23 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' HD23 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HA ' HD12 ' A' ' 90' ' ' ILE . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LYS . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.641 0.258 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' HB3' HG21 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 98' ' ' LYS . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' HE2' HG23 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.663 0.268 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.525 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.643 ' HA ' HD11 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.448 HE22 HH21 ' A' ' 61' ' ' ARG . 57.8 tp60 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD23 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.448 HH21 HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.459 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' ILE . 87.9 m-20 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 53' ' ' THR . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' HG11 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 18.1 m120 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 HD23 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' HA ' HD21 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 HD22 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 HD13 ' A' ' 95' ' ' LEU . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.596 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.543 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.593 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 90' ' ' ILE . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 87' ' ' ASN . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD13 ' A' ' 95' ' ' LEU . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.443 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HE2' HD12 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD21 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.625 HG23 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.625 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 60' ' ' LEU . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.479 ' SG ' HD22 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.589 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD22 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB2' HG12 ' A' ' 41' ' ' ILE . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 65' ' ' ILE . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' HB3' HG21 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' HA ' HD11 ' A' ' 48' ' ' LEU . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.589 HD13 HG23 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG11 HD21 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.55 HG12 HD23 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.571 HG22 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG11 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD21 HG11 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 90' ' ' ILE . 5.6 m-20 -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 100' ' ' ARG . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.633 0.254 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.582 HG12 HD23 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.622 HG23 HD13 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB3' HG21 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.622 HD13 HG23 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.576 HD11 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG13 ' A' ' 50' ' ' VAL . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 49' ' ' GLU . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 66' ' ' VAL . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 95' ' ' LEU . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD13 HG23 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' SER . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 HD23 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG2' ' NZ ' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.546 HD23 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' HD12 ' A' ' 69' ' ' LEU . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.56 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 87' ' ' ASN . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 92' ' ' PHE . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' HG21 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HG3' HH21 ' A' ' 61' ' ' ARG . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 HH21 ' HG3' ' A' ' 58' ' ' GLN . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.521 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.623 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 73' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 76' ' ' GLN . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' A' ' 74' ' ' CYS . 5.1 pp0? -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 95' ' ' LEU . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.64 HG12 HD22 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' HG22 ' A' ' 53' ' ' THR . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 51' ' ' GLU . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 70' ' ' LEU . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.9 p -138.28 -21.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -62.68 109.83 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.1 tpt -139.34 -69.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.07 -69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 58.45 -171.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' NE1' ' A' ' 35' ' ' TRP . 20.1 mm-40 -121.31 3.44 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.07 110.11 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -53.78 -24.37 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.167 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -74.19 -14.73 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -104.42 -12.93 16.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.541 ' NE1' ' HB2' ' A' ' 30' ' ' GLU . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 40' ' ' VAL . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 36' ' ' SER . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG21 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' ILE . 2.9 m-20 -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 90' ' ' ILE . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.504 HD11 HD12 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.29 -15.23 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.0 t 64.88 164.9 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -159.08 106.26 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.6 mt -104.13 -72.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.24 89.63 0.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.718 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -136.93 12.06 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -104.65 115.42 30.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -109.37 -31.76 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -87.82 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.62 119.94 13.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -56.67 122.65 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -130.9 143.91 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.67 -27.38 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.042 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.75 118.28 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.79 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -82.49 -13.84 56.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.402 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -15.24 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.19 10.44 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.439 HG12 HD23 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 95' ' ' LEU . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 60' ' ' LEU . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.704 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 61' ' ' ARG . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HA ' HD21 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 95' ' ' LEU . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 98' ' ' LYS . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -54.18 -50.43 67.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.6 m 57.22 81.64 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.928 0.394 . . . . 0.0 110.664 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -96.83 127.95 43.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.748 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tp -135.48 -45.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.86 77.3 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.404 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.7 12.83 9.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -129.98 101.75 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.833 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 m -98.73 -45.07 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.774 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -124.55 122.13 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -169.43 178.17 4.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -145.66 178.98 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.38 179.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -133.12 -63.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.4 111.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.402 ' HZ ' HH11 ' A' ' 100' ' ' ARG . 36.4 p90 -87.2 -6.89 58.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -62.97 -15.04 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -121.6 1.14 10.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD23 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 HD13 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HE2' HD12 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HA ' HD21 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 91' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.483 ' N ' HG22 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.402 HH11 ' HZ ' ' A' ' 32' ' ' PHE . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.27 -68.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t 58.16 100.02 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.493 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 28.1 mtpp -62.62 117.77 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.3 mt -116.66 -75.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -114.71 32.37 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 5.0 p90 -140.4 70.23 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.857 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -103.42 97.16 7.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.713 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.8 p -144.36 7.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -81.68 173.49 12.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -139.13 -22.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.614 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -118.78 135.73 54.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.668 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 59.34 96.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.083 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -127.56 -62.85 1.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -63.19 99.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.66 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.33 -14.51 40.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.499 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.2 t -94.62 -14.77 24.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.56 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -99.89 22.0 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' SER . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.614 HG12 HD23 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.591 HG23 HD13 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 19.6 m120 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.04 -21.1 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 64.91 146.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.182 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -167.17 93.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 104' ' ' LEU . 2.8 mm? -108.31 -72.47 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -153.63 86.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.766 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -134.42 14.52 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -100.19 103.57 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.861 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -89.83 152.56 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -75.06 175.11 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.6 ttp -86.22 25.58 1.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.17 156.37 12.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.976 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -69.29 116.2 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.02 -60.46 1.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.13 131.56 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -89.51 -8.77 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.0 p -75.8 -15.12 60.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -105.5 5.23 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' SER . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG21 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HG2' HD23 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' ILE . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 75' ' ' LEU . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.63 -71.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -114.28 155.77 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.478 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' C ' HD22 ' A' ' 104' ' ' LEU . 15.8 pttp -170.73 112.7 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 103' ' ' LYS . 3.4 mm? -117.13 -82.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -145.84 91.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -131.92 11.89 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.752 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -128.07 102.31 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.816 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.908 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -111.39 127.25 55.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -113.04 -18.47 12.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 138.46 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t30 64.52 149.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -80.76 103.2 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -125.27 -29.02 3.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.37 105.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -84.27 -10.44 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.3 m -73.23 -15.04 61.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -106.24 1.79 26.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HE3' HG22 ' A' ' 40' ' ' VAL . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 40' ' ' VAL . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' SER . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG21 ' SG ' ' A' ' 57' ' ' CYS . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.541 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 45' ' ' ILE . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 41' ' ' ILE . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.455 HG23 HD12 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HE3' HG23 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.08 -48.13 81.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 t 62.11 161.01 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.271 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.27 77.06 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.16 -47.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.677 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.09 98.73 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.79 -105.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.454 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.7 144.49 51.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.14 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.0 m -95.25 -6.12 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -103.07 155.95 18.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtt -101.84 28.14 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -59.33 -18.45 38.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.248 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -89.02 133.12 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.819 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -140.2 -70.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.66 121.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -66.98 -13.08 61.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.259 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -72.92 -15.15 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.06 -1.86 25.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 40' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 61' ' ' ARG . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' O ' HD22 ' A' ' 48' ' ' LEU . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.551 ' HG3' HG22 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB3' HD11 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 HG21 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' HA ' HD11 ' A' ' 48' ' ' LEU . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD13 HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 92' ' ' PHE . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD2' ' HG3' ' A' ' 71' ' ' PRO . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.01 -31.62 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.8 m -64.2 117.1 6.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 25.9 ttpp 60.93 106.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD12 ' HG3' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -135.06 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HG3' HD12 ' A' ' 104' ' ' LEU . 45.0 mt-10 -131.92 38.0 3.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.352 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 9.4 p90 -138.1 41.02 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -104.52 96.96 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.674 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.133 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.2 p -143.78 15.24 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 62.4 107.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.8 mtp -134.05 12.35 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.808 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -98.55 -65.24 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -131.38 135.49 47.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' H ' ' HE1' ' A' ' 35' ' ' TRP . 39.9 tt0 -105.42 -71.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' ' 30' ' ' GLU . 41.8 m-20 -144.07 94.32 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -50.67 -24.75 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.481 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -90.28 -28.85 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.638 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -109.38 25.12 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.506 ' HE1' ' H ' ' A' ' 30' ' ' GLU . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.586 ' HG3' HD23 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' H ' HG13 ' A' ' 66' ' ' VAL . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.15 -10.84 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p 54.06 -171.42 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.777 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 53.6 pttt -117.64 111.17 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.52 -76.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -125.72 98.59 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.05 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.777 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -103.91 11.56 35.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.791 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -130.74 93.74 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t 61.97 107.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -134.99 146.55 49.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.5 mtm -123.26 117.46 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -165.24 126.55 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -147.67 145.82 29.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.57 -23.51 8.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.28 112.26 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.15 -8.98 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.355 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -67.37 -20.15 65.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -101.73 -24.39 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD23 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.657 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 ' CG1' ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.657 HD13 ' HA2' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 96' ' ' ILE . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.425 HG23 ' HE2' ' A' ' 98' ' ' LYS . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 48' ' ' LEU . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 93' ' ' LYS . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.95 -12.08 60.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.3 m 60.79 177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.564 ' HD3' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -57.97 132.37 53.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.891 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.1 mt -108.9 -80.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -146.2 85.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -133.99 12.34 3.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -118.49 102.68 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.743 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.085 -179.746 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m 61.06 -83.98 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -115.88 -49.24 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 54.5 ttm 58.07 76.0 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -146.36 -40.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.711 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -60.95 140.56 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.578 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.7 -30.43 12.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.218 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.4 114.85 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -89.57 -12.55 39.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.57 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.6 p -69.16 -15.98 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.648 0.261 . . . . 0.0 111.09 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -107.53 7.53 28.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.263 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 92' ' ' PHE . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.543 ' HA ' HD12 ' A' ' 90' ' ' ILE . 85.0 m-20 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' HA ' HD11 ' A' ' 48' ' ' LEU . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.88 -25.2 68.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.4 m -61.51 133.65 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -163.07 90.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.77 -64.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.36 30.86 5.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -140.56 64.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -105.49 92.67 4.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.881 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.115 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 m -148.54 -11.61 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 59.44 -175.81 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 ptp -110.24 68.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -141.31 107.86 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -158.04 110.62 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.17 -48.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.33 124.8 22.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -70.68 -14.55 62.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.263 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 m -65.28 -15.02 62.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -101.7 -26.57 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.431 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' SG ' HD22 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD22 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 66' ' ' VAL . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 103' ' ' LYS . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.79 -70.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -168.49 145.23 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HG2' ' HB3' ' A' ' 98' ' ' LYS . 10.4 mtmp? -104.14 22.36 14.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.9 tp -128.89 -36.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.431 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.59 92.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.663 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.98 15.07 5.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -112.58 102.82 10.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.956 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t 56.77 86.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 56.82 -91.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.7 mmm -142.78 124.55 15.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -108.5 120.21 41.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -98.55 150.47 21.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.65 -46.52 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.988 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.66 132.41 48.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -87.59 -13.1 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.7 m -72.26 -16.13 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -102.15 -2.53 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.526 ' HE3' HG22 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG22 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD23 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 HD13 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 50' ' ' VAL . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG13 ' HG3' ' A' ' 49' ' ' GLU . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 75' ' ' LEU . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 91' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -65.42 -49.77 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t 56.14 91.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.63 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -157.03 110.69 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.62 -67.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.98 74.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -132.68 12.36 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -119.43 103.39 9.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.942 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.6 p 50.71 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.493 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -88.67 -10.14 49.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.5 ttp -78.08 142.26 38.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -145.44 6.81 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -99.11 151.64 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -130.12 -55.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.86 124.28 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -70.46 -17.07 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.245 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.69 -17.3 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -107.95 9.14 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.547 HG12 HD23 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD23 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' HD23 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HA ' HD12 ' A' ' 90' ' ' ILE . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LYS . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.74 -70.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -167.67 175.78 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.535 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 39.3 ttpt -64.2 130.28 43.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.9 tp -114.71 -53.56 2.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.018 0.437 . . . . 0.0 110.305 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -173.93 72.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.179 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.535 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 5.4 m95 -101.03 9.46 42.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 107' ' ' LYS . 8.4 mtpm? -119.94 92.53 3.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.88 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.2 m -82.99 134.71 35.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -114.68 9.34 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.0 mtt -80.43 -172.82 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.09 -54.64 26.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.332 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' GLN . 61.7 t30 64.71 159.08 0.1 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.62 -22.49 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.51 135.86 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -78.03 -21.69 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -72.65 -14.87 61.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 29' ' ' ASN . 14.8 mm100 -107.84 3.43 24.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.141 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' HB3' HG21 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 98' ' ' LYS . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' HE2' HG23 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.99 -70.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -97.35 167.05 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 23.0 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 tp -127.34 -28.15 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.417 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.48 84.26 6.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.52 16.34 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.954 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -120.25 94.76 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.842 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.424 -0.271 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -124.02 135.33 53.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 111.004 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -93.58 113.96 26.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.9 mtt -104.54 132.25 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.55 167.95 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -66.66 149.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.59 -44.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.78 117.83 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -82.04 -8.54 59.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -72.57 -22.78 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -102.91 3.29 36.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.525 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.643 ' HA ' HD11 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.448 HE22 HH21 ' A' ' 61' ' ' ARG . 57.8 tp60 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD23 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.448 HH21 HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.459 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' ILE . 87.9 m-20 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.34 -37.88 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.9 p 52.13 16.96 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm 52.82 88.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.2 tp -102.5 -80.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -160.0 40.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -125.78 9.29 7.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.13 102.53 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.929 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m 61.05 15.26 6.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 0.0 111.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -79.66 140.85 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -69.59 99.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -161.99 167.72 24.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -56.16 112.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.17 -24.55 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.51 102.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.25 -8.34 54.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.292 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -100.71 -14.41 18.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.562 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -99.34 20.33 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 53' ' ' THR . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' HG11 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 18.1 m120 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 HD23 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' HA ' HD21 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 HD22 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.69 -10.1 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -47.18 106.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.57 129.54 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.237 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -127.44 -71.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.1 76.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -134.36 12.26 3.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.12 113.09 16.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.973 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.936 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p 47.65 91.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.935 0.397 . . . . 0.0 111.273 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -115.24 170.23 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtp -84.7 -33.1 23.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 55.23 73.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.735 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.13 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.8 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -118.87 -32.36 4.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.92 111.31 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -77.37 -9.02 58.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -75.82 -15.19 60.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -114.11 11.78 17.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 HD13 ' A' ' 95' ' ' LEU . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.596 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.543 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.593 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 90' ' ' ILE . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 87' ' ' ASN . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.25 -22.4 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t 58.02 -177.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.73 106.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HG ' ' HG3' ' A' ' 105' ' ' GLU . 37.6 tp -107.23 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HG3' ' HG ' ' A' ' 104' ' ' LEU . 45.1 mt-10 -128.86 35.73 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -140.02 74.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -100.22 99.28 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.693 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.108 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -63.23 103.07 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 110.755 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.6 -174.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -166.19 162.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.88 -83.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.334 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.8 t30 65.54 151.53 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -136.66 -42.35 0.61 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.14 107.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -87.09 -11.23 50.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.3 p -65.37 -15.86 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -122.28 11.04 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD13 ' A' ' 95' ' ' LEU . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HE2' HD12 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD21 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.625 HG23 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.625 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -56.23 -39.34 72.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.6 m 58.08 -173.37 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 59.16 36.74 24.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.48 -29.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.63 69.31 7.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.43 14.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.176 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.41 98.45 3.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.916 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 m -130.85 120.74 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -82.74 97.19 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.0 ttp -92.83 -1.54 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 t30 60.31 91.75 0.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -106.05 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.696 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.24 -15.62 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.76 132.48 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -89.3 -14.19 36.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -68.03 -16.98 64.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -99.87 -16.65 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 60' ' ' LEU . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.479 ' SG ' HD22 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.589 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD22 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB2' HG12 ' A' ' 41' ' ' ILE . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 65' ' ' ILE . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' HB3' HG21 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' HA ' HD11 ' A' ' 48' ' ' LEU . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.589 HD13 HG23 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -62.64 -21.55 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -66.32 -177.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt 60.55 84.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 104' ' ' LEU . 7.6 mp -103.05 -71.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -173.61 88.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.727 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -129.47 14.83 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.18 97.04 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.1 p -153.0 -26.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -98.9 -45.83 5.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.8 ttm -159.46 99.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -72.84 -179.41 3.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -75.95 -172.93 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.49 -79.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -141.96 87.91 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -49.82 -28.32 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -85.59 -25.92 26.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.48 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -119.05 30.78 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG11 HD21 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.55 HG12 HD23 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.571 HG22 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG11 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD21 HG11 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 90' ' ' ILE . 5.6 m-20 -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 100' ' ' ARG . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.06 -10.86 24.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.9 m 66.96 153.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -95.62 105.18 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.5 mm? -103.78 -80.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -147.66 52.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -121.76 12.94 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -106.4 101.24 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m 58.43 95.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -103.76 -10.0 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.94 113.23 25.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -77.06 -13.65 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -146.37 137.71 24.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -101.6 -56.46 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.58 137.22 58.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.997 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -89.1 -7.32 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -68.84 -25.13 64.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.4 7.03 42.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.42 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.582 HG12 HD23 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.622 HG23 HD13 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB3' HG21 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.622 HD13 HG23 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -66.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 159.17 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 46.6 tptt -144.76 31.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -172.56 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.68 36.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.494 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -102.36 17.91 22.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.223 179.752 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -106.54 88.74 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.96 179.896 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 m -101.03 179.83 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -138.42 -38.67 0.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.7 mtp -112.24 -40.51 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.49 176.56 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.0 98.79 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.803 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.81 -40.99 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -51.3 124.27 11.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.254 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.01 -7.09 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -59.02 -19.65 45.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -99.62 -24.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.576 HD11 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG13 ' A' ' 50' ' ' VAL . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 49' ' ' GLU . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 66' ' ' VAL . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 95' ' ' LEU . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD13 HG23 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 102' ' ' SER . 16.3 t70 -76.81 -72.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 43.2 t 172.65 140.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 9.5 mtmp? 63.03 139.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.73 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.6 mm? -100.36 -76.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.609 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -160.32 62.4 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.38 11.02 21.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.95 98.34 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.1 p -93.9 146.34 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -161.16 -39.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.7 tpp -136.26 -54.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.14 145.39 23.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -159.79 32.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.66 -35.62 7.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -46.85 106.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.308 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 11.4 p90 -87.36 -6.56 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -15.35 61.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -101.94 -17.03 16.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' SER . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 HD23 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG2' ' NZ ' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD23 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 32' ' ' PHE . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' HD12 ' A' ' 69' ' ' LEU . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.56 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 87' ' ' ASN . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 92' ' ' PHE . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.81 -71.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.6 m -164.27 175.27 10.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -106.65 105.53 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.758 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.41 -53.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.82 96.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.453 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.64 14.01 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -131.47 107.73 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.939 179.929 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 m -151.91 166.43 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 57.92 97.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -123.59 172.28 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -134.79 -56.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.758 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -146.3 159.74 42.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -116.25 -39.72 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -71.25 158.44 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.748 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 46.7 p90 -82.29 -6.83 59.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -62.34 -16.27 53.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.12 30.46 2.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 32' ' ' PHE . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' HG21 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HG3' HH21 ' A' ' 61' ' ' ARG . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 HH21 ' HG3' ' A' ' 58' ' ' GLN . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.521 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.623 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 73' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 76' ' ' GLN . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' A' ' 74' ' ' CYS . 5.1 pp0? -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 95' ' ' LEU . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.51 -71.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -65.94 140.32 58.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.376 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -155.73 22.76 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 106' ' ' TRP . 9.8 tp -97.74 -30.37 12.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.353 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.96 87.58 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.362 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.404 ' CZ3' ' HA ' ' A' ' 104' ' ' LEU . 1.3 p90 -121.32 16.14 11.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -104.61 101.22 10.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.648 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.91 -179.845 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.1 p -65.94 120.32 12.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -123.73 119.64 30.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -120.22 165.57 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -88.74 111.92 22.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -106.38 94.28 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -114.89 -22.73 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.32 127.22 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.772 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -86.88 -6.73 58.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.1 m -68.23 -14.96 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.538 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.29 10.26 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.64 HG12 HD22 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' HG22 ' A' ' 53' ' ' THR . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 51' ' ' GLU . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 70' ' ' LEU . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.2 -71.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 t -178.57 163.01 1.47 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -170.15 86.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.1 mm? -115.79 -64.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.557 179.537 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -138.65 32.33 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.223 0.535 . . . . 0.0 110.485 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -140.42 67.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -100.67 99.36 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 40' ' ' VAL . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 36' ' ' SER . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG21 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.527 ' NE2' ' HA ' ' A' ' 86' ' ' LEU . 4.8 tp-100 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.504 HD11 HD12 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.439 HG12 HD23 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 95' ' ' LEU . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 60' ' ' LEU . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.704 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 61' ' ' ARG . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HA ' HD21 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 95' ' ' LEU . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 98' ' ' LYS . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD23 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 HD13 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HE2' HD12 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HA ' HD21 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 91' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.483 ' N ' HG22 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' SER . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.614 HG12 HD23 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.591 HG23 HD13 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 48.7 m-80 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.457 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.547 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.734 0.302 . . . . 0.0 111.299 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' SER . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG21 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HG2' HD23 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' ILE . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 75' ' ' LEU . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.702 0.287 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HE3' HG22 ' A' ' 40' ' ' VAL . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 40' ' ' VAL . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' SER . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG21 ' SG ' ' A' ' 57' ' ' CYS . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.541 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 45' ' ' ILE . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 41' ' ' ILE . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.455 HG23 HD12 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HE3' HG23 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.709 0.29 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 40' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 61' ' ' ARG . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' O ' HD22 ' A' ' 48' ' ' LEU . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.551 ' HG3' HG22 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB3' HD11 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 HG21 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' HA ' HD11 ' A' ' 48' ' ' LEU . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.806 HD13 HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 92' ' ' PHE . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD2' ' HG3' ' A' ' 71' ' ' PRO . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.586 ' HG3' HD23 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' H ' HG13 ' A' ' 66' ' ' VAL . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.782 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD23 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.657 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 ' CG1' ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.657 HD13 ' HA2' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 96' ' ' ILE . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.425 HG23 ' HE2' ' A' ' 98' ' ' LYS . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 48' ' ' LEU . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 93' ' ' LYS . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 92' ' ' PHE . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.698 HD22 HD12 ' A' ' 90' ' ' ILE . 10.1 m120 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' HA ' HD11 ' A' ' 48' ' ' LEU . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.574 0.226 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' SG ' HD22 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD22 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 66' ' ' VAL . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.526 ' HE3' HG22 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG22 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD23 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 HD13 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 50' ' ' VAL . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG13 ' HG3' ' A' ' 49' ' ' GLU . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 75' ' ' LEU . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 91' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.691 0.282 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.547 HG12 HD23 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD23 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' HD23 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HA ' HD12 ' A' ' 90' ' ' ILE . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LYS . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.641 0.258 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' HB3' HG21 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 98' ' ' LYS . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' HE2' HG23 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.663 0.268 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.525 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.643 ' HA ' HD11 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.448 HE22 ' NH2' ' A' ' 61' ' ' ARG . 8.4 tp-100 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD23 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' NH2' HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.459 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.2 m120 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 53' ' ' THR . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' HG11 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 HD23 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' HA ' HD21 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 HD22 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 HD13 ' A' ' 95' ' ' LEU . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.596 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.543 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.593 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 90' ' ' ILE . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 87' ' ' ASN . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.877 0.37 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD13 ' A' ' 95' ' ' LEU . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.443 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HE2' HD12 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD21 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.625 HG23 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.625 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 60' ' ' LEU . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.479 ' SG ' HD22 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.589 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD22 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB2' HG12 ' A' ' 41' ' ' ILE . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 65' ' ' ILE . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' HB3' HG21 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' HA ' HD11 ' A' ' 48' ' ' LEU . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.589 HD13 HG23 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG11 HD21 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.55 HG12 HD23 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.571 HG22 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG11 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD21 HG11 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 100' ' ' ARG . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.633 0.254 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.582 HG12 HD23 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.622 HG23 HD13 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB3' HG21 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.535 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.622 HD13 HG23 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.359 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.576 HD11 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG13 ' A' ' 50' ' ' VAL . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 49' ' ' GLU . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 66' ' ' VAL . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 95' ' ' LEU . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD13 HG23 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' SER . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 HD23 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG2' ' NZ ' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.546 HD23 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' HD12 ' A' ' 69' ' ' LEU . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.56 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 87' ' ' ASN . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 92' ' ' PHE . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' HG21 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HG3' HH21 ' A' ' 61' ' ' ARG . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 HH21 ' HG3' ' A' ' 58' ' ' GLN . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.521 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.623 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 73' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 76' ' ' GLN . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 95' ' ' LEU . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.64 HG12 HD22 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' HG22 ' A' ' 53' ' ' THR . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 51' ' ' GLU . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 70' ' ' LEU . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.9 p -138.28 -21.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -62.68 109.83 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.1 tpt -139.34 -69.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -128.07 -69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 58.45 -171.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' NE1' ' A' ' 35' ' ' TRP . 20.1 mm-40 -121.31 3.44 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.07 110.11 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -53.78 -24.37 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.167 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -74.19 -14.73 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -104.42 -12.93 16.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.541 ' NE1' ' HB2' ' A' ' 30' ' ' GLU . 41.5 m95 -65.4 124.35 22.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 40' ' ' VAL . 48.5 m -114.57 -170.71 1.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.39 -60.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.432 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 -32.51 64.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.633 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -65.72 -56.73 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.457 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 36' ' ' SER . 54.3 t -61.49 -49.94 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.869 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG21 ' SG ' ' A' ' 57' ' ' CYS . 71.2 mt -57.13 -63.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -45.96 -59.66 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -57.16 -44.4 83.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.753 0.311 . . . . 0.0 111.473 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.3 t -56.17 -66.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.608 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 56' ' ' LEU . 53.5 mt -51.31 -55.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.092 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.4 p -56.24 -12.74 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -126.26 -1.05 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -93.48 -68.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.791 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.53 -67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.18 -168.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.933 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -102.8 -174.44 2.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.186 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -76.73 74.15 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.128 0.489 . . . . 0.0 110.788 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.1 p -142.43 -49.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.33 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.8 t70 -62.94 146.17 95.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.676 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.41 -4.68 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.929 2.42 . . . . 0.0 113.365 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 45' ' ' ILE . 30.2 tp -50.61 -30.43 13.35 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.909 0.385 . . . . 0.0 110.706 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 41' ' ' ILE . 25.3 t -70.18 -41.05 74.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 50.2 tt0 -61.42 -45.05 95.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.968 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -57.93 -56.08 26.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.95 -31.25 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -68.73 -38.31 80.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.222 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 58' ' ' GLN . 15.3 mm-40 -56.8 -63.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -75.66 88.89 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -58.61 105.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -127.02 127.07 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.083 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.3 p -82.18 163.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.607 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.95 -25.12 61.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.686 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -76.82 -17.53 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.94 -0.11 29.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.626 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 57.3 mt -60.51 -51.33 80.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.089 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 22.4 Cg_exo -66.8 -8.28 20.9 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.173 1.915 . . . . 0.0 112.078 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.63 -21.49 20.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.89 -49.43 77.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.1 m 63.65 173.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.617 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.81 -11.74 8.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.287 . . . . 0.0 111.275 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -75.07 -62.65 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.1 -35.43 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.27 -54.64 41.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.527 ' NE2' ' HA ' ' A' ' 86' ' ' LEU . 4.8 tp-100 -61.98 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.161 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.21 -31.5 71.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.874 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -71.87 -13.34 61.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.62 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.3 t -109.72 158.76 17.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.516 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -59.23 -21.74 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.57 53.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 19.9 t70 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.685 0.279 . . . . 0.0 110.969 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 3.7 mm? -55.89 -58.11 9.25 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.352 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HB2' ' OD2' ' A' ' 85' ' ' ASP . 17.5 m120 -40.65 -34.55 0.38 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.719 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -70.22 -62.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.59 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.818 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.504 HD11 HD12 ' A' ' 86' ' ' LEU . 33.7 mt -49.81 -54.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.747 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.34 -32.32 73.87 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.22 -64.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.104 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -52.42 -37.53 56.96 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.8 mt -59.8 -62.12 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.77 -31.49 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.013 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.8 mt -67.53 -42.31 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.743 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -59.18 -36.84 76.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.542 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.51 -40.76 85.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.8 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 14.9 tpt -66.62 -30.19 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -73.15 -49.1 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -77.29 -15.23 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.0 t 64.88 164.9 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -159.08 106.26 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.6 mt -104.13 -72.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.24 89.63 0.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.718 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -136.93 12.06 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -104.65 115.42 30.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.3 p -109.37 -31.76 7.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -87.82 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.62 119.94 13.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -56.67 122.65 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.624 HD22 ' HE1' ' A' ' 35' ' ' TRP . 3.3 p-10 -130.9 143.91 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.67 -27.38 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.042 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.75 118.28 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.79 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -82.49 -13.84 56.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.402 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -69.57 -15.24 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -119.19 10.44 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.624 ' HE1' HD22 ' A' ' 29' ' ' ASN . 13.0 m0 -71.89 150.12 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.7 p -101.83 -171.84 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.424 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 41' ' ' ILE . 97.2 t -60.21 -52.78 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.1 -40.44 81.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.89 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.31 -50.96 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.78 -42.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 111.727 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 67.3 mt -63.48 -50.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.808 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.4 m -56.6 -56.86 16.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.598 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -55.84 -41.76 74.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.9 t -55.35 -70.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.439 HG12 HD23 ' A' ' 56' ' ' LEU . 67.6 mt -53.49 -27.89 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.676 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -60.77 -12.84 11.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.99 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 95' ' ' LEU . 8.9 t -162.74 20.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -85.98 -71.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.204 -179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -144.52 -62.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 111.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.12 -163.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.991 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.3 -179.12 4.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.348 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.67 73.87 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.14 0.495 . . . . 0.0 110.95 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.0 p -142.73 -43.39 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.013 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.6 t70 -61.59 145.89 90.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.457 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.73 -0.58 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.636 2.224 . . . . 0.0 113.226 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 60' ' ' LEU . 16.8 tp -48.0 -40.76 23.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.751 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 18.1 t -62.44 -47.06 85.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.073 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -60.09 -32.45 70.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.023 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.704 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 1.7 tpm_? -69.17 -53.32 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.696 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 56' ' ' LEU . 10.0 mp -58.36 -47.82 82.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.141 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 61' ' ' ARG . 13.1 ttp180 -58.47 -36.02 73.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.08 -40.02 72.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 110.619 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 63.7 m-20 -106.65 90.4 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.54 106.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -131.21 135.29 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -90.84 162.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.639 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.79 -18.77 59.94 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.808 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.14 -6.93 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.033 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -110.55 -9.77 14.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.35 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 78.8 mt -54.63 -52.11 72.79 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.487 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.0 Cg_endo -81.84 -9.21 12.08 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.209 1.939 . . . . 0.0 112.487 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -88.33 4.97 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.239 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt -125.34 141.78 51.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.029 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.1 m -88.74 -167.41 1.87 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.66 -10.34 18.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.69 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.741 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.3 -33.53 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.813 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 93.2 m -60.81 -43.49 98.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.93 -38.71 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.266 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -34.61 78.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.04 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.31 -13.28 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 84.0 m -100.08 166.9 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.628 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.11 -16.43 59.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.72 2.8 3.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.371 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.03 116.24 26.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.73 -47.29 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.693 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HA ' HD12 ' A' ' 90' ' ' ILE . 64.6 t30 -53.93 -45.07 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.732 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -55.36 -45.94 76.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.5 mt -62.48 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.581 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.4 mmmm -54.32 -32.81 57.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.107 0.48 . . . . 0.0 110.409 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HA ' HD21 ' A' ' 48' ' ' LEU . 69.5 t80 -63.25 -61.96 2.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.696 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.89 -23.62 63.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 95' ' ' LEU . 29.3 mt -65.56 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.245 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -48.3 -36.32 13.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.22 -34.96 32.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.545 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.17 -51.71 62.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 98' ' ' LYS . 4.7 mptp? -66.77 -30.62 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -54.97 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -77.31 -66.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.516 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -54.18 -50.43 67.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.67 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.6 m 57.22 81.64 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.928 0.394 . . . . 0.0 110.664 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -96.83 127.95 43.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.748 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tp -135.48 -45.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.86 77.3 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.404 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.7 12.83 9.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.909 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -129.98 101.75 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.833 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.3 m -98.73 -45.07 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.774 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -124.55 122.13 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -169.43 178.17 4.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -145.66 178.98 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -66.38 179.44 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -133.12 -63.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.4 111.3 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.402 ' HZ ' HH11 ' A' ' 100' ' ' ARG . 36.4 p90 -87.2 -6.89 58.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -62.97 -15.04 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.242 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -121.6 1.14 10.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -60.81 164.61 4.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 25.2 t -121.89 -179.04 4.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.17 -53.21 50.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.47 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.42 -32.37 68.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.421 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -70.77 -46.02 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.329 . . . . 0.0 111.384 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG11 HD21 ' A' ' 70' ' ' LEU . 94.6 t -66.16 -48.45 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.59 -54.83 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.856 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.1 m -53.02 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.617 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -52.6 -42.68 64.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.477 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 53.3 t -59.36 -66.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.947 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG12 HD23 ' A' ' 56' ' ' LEU . 83.7 mt -50.48 -34.68 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.812 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.8 m -60.13 -12.7 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.026 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.471 HG23 HD13 ' A' ' 95' ' ' LEU . 9.5 t -156.34 16.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' A' ' 92' ' ' PHE . 1.5 tm? -90.89 -72.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.084 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -144.53 -72.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.32 0.581 . . . . 0.0 111.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.49 -174.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -106.49 -172.72 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.294 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -78.43 71.66 4.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 68.2 p -144.68 -49.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.463 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.04 153.83 64.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.414 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.1 -4.81 8.26 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.419 2.079 . . . . 0.0 112.048 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD23 HG12 ' A' ' 45' ' ' ILE . 13.7 tp -50.49 -37.86 41.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.364 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.72 -38.84 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.975 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -72.6 -30.37 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -65.61 -46.53 78.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.24 -26.88 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.528 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.76 -45.04 91.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.29 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.65 -63.7 1.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.528 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.8 m-20 -80.12 90.56 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.431 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.46 99.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 63' ' ' ASN . 48.7 mm -99.9 104.96 16.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.995 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -69.64 164.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.51 -37.4 88.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -77.27 -3.14 38.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.743 0.306 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 65' ' ' ILE . 48.4 tp -107.15 -16.44 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 60.6 mt -60.03 -52.61 72.24 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.498 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.7 Cg_endo -80.48 -22.48 6.73 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.188 1.925 . . . . 0.0 112.453 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.28 -20.21 66.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.758 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.49 153.68 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.6 p -101.73 -175.68 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.86 -9.85 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -48.11 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.931 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.45 -20.55 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.287 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 81' ' ' LEU . 81.1 m -90.13 -39.21 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -62.81 -35.88 81.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 110.263 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.62 -28.97 68.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 78' ' ' CYS . 79.2 mt -73.99 -13.48 60.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.6 t -105.16 158.93 16.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.56 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.94 -23.15 65.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.11 -22.8 0.59 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.26 106.72 0.56 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.711 0.291 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.06 -41.92 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.6 m120 -51.14 -31.46 19.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' HE2' HD12 ' A' ' 48' ' ' LEU . 29.1 tptp -63.98 -50.73 67.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.36 70.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 87' ' ' ASN . 75.7 mt -64.31 -59.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.557 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 94' ' ' ILE . 31.4 mmtp -54.41 -29.08 47.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.017 0.436 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' HA ' HD21 ' A' ' 48' ' ' LEU . 14.3 t80 -64.58 -62.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.296 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -61.59 -16.56 49.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 91' ' ' LYS . 20.4 mt -71.64 -68.25 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.27 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.483 ' N ' HG22 ' A' ' 94' ' ' ILE . 70.5 mt -53.21 -28.33 26.38 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.987 0.422 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' A' ' 92' ' ' PHE . 63.6 mt -77.05 -34.3 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.074 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -66.75 -41.05 88.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.663 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -50.59 63.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.38 -25.7 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.402 HH11 ' HZ ' ' A' ' 32' ' ' PHE . 21.5 tpt180 -71.81 -63.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.27 -68.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 t 58.16 100.02 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.493 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 28.1 mtpp -62.62 117.77 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.3 mt -116.66 -75.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -114.71 32.37 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.992 0.425 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 5.0 p90 -140.4 70.23 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.857 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -103.42 97.16 7.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.713 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.8 p -144.36 7.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -81.68 173.49 12.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -139.13 -22.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.614 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -118.78 135.73 54.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.668 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 59.34 96.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.083 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -127.56 -62.85 1.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -63.19 99.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.66 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.33 -14.51 40.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.499 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.2 t -94.62 -14.77 24.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.56 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -99.89 22.0 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -77.33 153.28 33.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.883 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -124.29 172.43 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.46 -53.88 26.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.584 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.22 -31.08 63.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.375 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -74.98 -43.65 52.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' SER . 62.0 t -66.65 -43.35 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG12 ' HB2' ' A' ' 60' ' ' LEU . 75.7 mt -60.94 -58.01 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -53.79 -58.71 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.769 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' THR . 89.3 t90 -52.47 -53.26 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.264 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.97 -66.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.768 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.614 HG12 HD23 ' A' ' 56' ' ' LEU . 68.7 mt -53.6 -42.02 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.273 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -57.42 -12.56 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.591 HG23 HD13 ' A' ' 95' ' ' LEU . 9.6 t -147.16 11.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HA ' HD11 ' A' ' 95' ' ' LEU . 8.0 tt -94.05 -70.47 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.463 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -142.78 -71.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 111.589 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.42 -176.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.463 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 53' ' ' THR . 14.1 pt-20 -106.5 -173.58 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.94 71.67 4.43 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.339 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.476 HG23 ' HG3' ' A' ' 51' ' ' GLU . 69.9 p -144.91 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.054 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.27 156.39 75.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.31 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.16 -4.1 8.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.417 2.078 . . . . 0.0 112.236 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 45' ' ' ILE . 34.4 tp -52.38 -35.45 51.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.9 p -68.52 -33.88 74.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.803 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -75.87 -27.81 57.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -71.09 -37.82 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' ILE . 45.9 mt -79.2 -31.24 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.597 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -64.39 -51.89 60.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.679 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 8.1 pt-20 -50.93 -41.99 59.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.373 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' ND2' ' HG3' ' A' ' 62' ' ' GLU . 48.7 m-80 -95.06 88.97 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -61.26 102.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 69' ' ' LEU . 48.9 mm -124.41 116.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.2 p -73.8 163.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.85 -18.33 56.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.712 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -77.42 -13.17 59.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.647 0.26 . . . . 0.0 111.404 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB2' HG23 ' A' ' 65' ' ' ILE . 80.3 mt -106.4 -15.41 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.677 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.6 mt -53.25 -51.26 77.04 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.515 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 69.3 Cg_endo -87.73 -7.84 6.28 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.321 2.014 . . . . 0.0 112.305 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.16 -27.54 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.35 163.64 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.219 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.1 p -95.36 -165.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.5 mm? -77.91 -7.78 57.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.537 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.457 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -71.88 -46.45 57.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.28 -60.25 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 30.4 p -49.67 -41.77 43.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -54.43 -45.11 72.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.62 -28.83 69.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.137 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.03 -12.79 60.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 77.3 m -99.61 176.84 5.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.37 -20.6 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.98 -12.91 4.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.243 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.58 127.92 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.744 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -67.25 -43.04 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.24 -44.8 43.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.029 0.443 . . . . 0.0 110.774 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.74 -47.94 82.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.787 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -62.34 -32.73 73.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.309 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.35 -51.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.7 mmmm -56.33 -37.39 69.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.27 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 48' ' ' LEU . 48.8 t80 -58.23 -57.76 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.67 -28.65 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 91' ' ' LYS . 31.5 mt -61.91 -62.19 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.591 HD13 HG23 ' A' ' 47' ' ' THR . 68.4 mt -50.59 -35.89 32.28 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.216 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.0 mt -75.45 -27.28 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.75 -55.58 25.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.065 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -69.66 -33.17 72.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.327 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -54.93 40.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.757 0.313 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -58.39 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.04 -21.1 66.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.9 m 64.91 146.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.182 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -167.17 93.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 104' ' ' LEU . 2.8 mm? -108.31 -72.47 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.72 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -153.63 86.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.766 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -134.42 14.52 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -100.19 103.57 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.861 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -89.83 152.56 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -75.06 175.11 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.767 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.6 ttp -86.22 25.58 1.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -59.17 156.37 12.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.976 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.29 116.2 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.971 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.02 -60.46 1.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.13 131.56 51.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -89.51 -8.77 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.0 p -75.8 -15.12 60.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.269 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -105.5 5.23 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.299 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -64.63 156.41 30.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.151 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.6 p -116.42 176.82 4.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.81 -48.8 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.299 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.23 -39.92 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.641 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.59 -54.11 22.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.454 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' SER . 90.9 t -54.67 -46.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG21 ' SG ' ' A' ' 57' ' ' CYS . 95.1 mt -55.92 -59.8 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.3 m -50.49 -60.96 2.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.025 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -55.34 -54.44 43.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.635 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.6 t -47.8 -66.17 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.597 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.6 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.58 -53.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.939 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -57.1 -12.84 2.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.0 p -128.62 2.92 5.52 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 49' ' ' GLU . 4.7 tt -94.01 -69.63 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.728 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HG2' HD23 ' A' ' 48' ' ' LEU . 13.7 mm-40 -142.57 -63.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.8 m -107.74 -167.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.888 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.7 -177.05 3.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.34 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.09 74.4 3.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.127 0.489 . . . . 0.0 110.752 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.9 p -142.49 -43.07 0.32 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.947 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.1 t70 -64.45 145.86 98.25 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 -1.52 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.861 2.374 . . . . 0.0 113.424 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 HG12 ' A' ' 45' ' ' ILE . 38.3 tp -52.03 -31.2 28.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 110.756 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 41' ' ' ILE . 7.9 t -72.93 -36.91 67.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.12 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 28.4 tpt180 -77.62 -46.77 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.47 -34.22 77.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.867 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -70.19 -46.31 64.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.04 -49.72 62.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.687 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' ILE . 54.5 m-20 -96.46 88.76 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.11 101.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 69' ' ' LEU . 47.6 mm -125.49 110.77 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.83 171.46 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.17 -13.9 76.51 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.333 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.11 -14.24 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.664 0.269 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 65' ' ' ILE . 62.0 mt -102.74 -15.68 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 87.7 mt -52.8 -50.87 78.85 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.571 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.3 Cg_endo -85.03 -16.42 5.16 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.277 1.984 . . . . 0.0 112.504 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.3 -21.61 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.6 159.32 15.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 12.8 t -104.84 179.76 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 75' ' ' LEU . 3.7 mm? -58.92 -17.43 24.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -61.93 -61.37 2.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.305 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.1 -29.98 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -69.57 -31.3 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.633 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.39 -38.99 68.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.209 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.54 -17.32 64.48 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.598 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -74.16 -13.67 60.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 38.7 t -112.72 166.71 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.684 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -56.7 -25.93 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.43 -14.29 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.642 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.3 116.84 12.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -69.93 -40.0 75.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 90' ' ' ILE . 10.6 t-20 -49.66 -50.27 44.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.113 0.482 . . . . 0.0 110.939 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -56.6 -39.52 73.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.75 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.03 74.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 87' ' ' ASN . 97.4 mt -61.71 -48.62 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -58.35 -41.9 85.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.355 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -56.63 -61.25 2.56 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.044 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.11 -38.33 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.271 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mt -56.02 -63.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 48' ' ' LEU . 84.2 mt -45.63 -38.46 6.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 70' ' ' LEU . 63.7 mt -69.5 -33.72 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.54 -59.96 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.614 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -44.27 85.86 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 111.609 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -41.63 72.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.324 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.28 -48.33 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.473 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.63 -71.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.587 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.8 p -114.28 155.77 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.478 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' C ' HD22 ' A' ' 104' ' ' LEU . 15.8 pttp -170.73 112.7 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 103' ' ' LYS . 3.4 mm? -117.13 -82.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -145.84 91.16 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -131.92 11.89 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.752 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -128.07 102.31 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.816 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.908 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -111.39 127.25 55.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -113.04 -18.47 12.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 138.46 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t30 64.52 149.32 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -80.76 103.2 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -125.27 -29.02 3.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.37 105.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -84.27 -10.44 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.3 m -73.23 -15.04 61.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -106.24 1.79 26.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HE3' HG22 ' A' ' 40' ' ' VAL . 28.6 m0 -65.94 151.58 46.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.427 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 40' ' ' VAL . 55.7 m -112.41 -176.85 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.58 -53.04 54.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.795 0.331 . . . . 0.0 111.412 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -63.7 -31.33 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.58 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.18 -53.27 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 36' ' ' SER . 61.3 t -58.27 -46.3 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.789 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG21 ' SG ' ' A' ' 57' ' ' CYS . 80.9 mt -58.86 -53.78 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.755 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 m -54.26 -60.21 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.542 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -55.39 -33.9 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -62.5 -70.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.54 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 56' ' ' LEU . 56.5 mt -52.89 -23.55 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.567 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -65.4 -15.9 63.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.13 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -165.21 22.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -85.57 -71.49 0.53 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.191 -179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.541 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 12.0 mm-40 -144.33 -63.68 0.37 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.65 -167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.269 0.557 . . . . 0.0 112.317 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.2 pt-20 -99.9 -171.03 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.357 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.29 73.76 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.125 0.488 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.506 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.4 t -143.04 -38.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.422 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.4 t70 -73.18 144.6 84.83 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.856 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.72 0.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.954 2.436 . . . . 0.0 113.473 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 45' ' ' ILE . 47.0 tp -45.15 -33.13 2.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 41' ' ' ILE . 26.9 t -74.41 -43.3 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -60.17 -35.27 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.43 -52.85 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD23 ' HG ' ' A' ' 81' ' ' LEU . 95.1 mt -56.46 -46.05 80.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.41 -35.7 81.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.761 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -52.97 63.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -101.07 89.69 3.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.38 108.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.455 HG23 HD12 ' A' ' 69' ' ' LEU . 46.2 mm -131.46 120.39 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.96 165.57 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.02 62.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.36 -11.59 59.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.3 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 65' ' ' ILE . 61.6 mt -104.45 -12.16 16.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.305 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.0 mt -57.85 -50.25 89.18 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.777 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.8 Cg_endo -79.0 -1.88 11.96 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.097 1.865 . . . . 0.0 112.875 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -111.09 17.03 20.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.399 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.9 mt -127.6 158.76 36.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.0 m -98.77 -173.51 2.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.15 -21.4 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.93 -57.8 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.1 -30.63 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 84.4 m -76.68 -29.35 56.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -73.22 -32.5 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.164 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.62 -19.68 65.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.33 0.586 . . . . 0.0 109.795 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.6 mp -82.84 -13.05 56.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.737 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.7 t -109.79 165.41 11.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.559 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.03 -17.9 42.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 132.75 40.61 0.2 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -119.37 114.83 22.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -61.03 -43.0 99.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.9 t30 -51.9 -47.7 64.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.15 -40.74 70.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.974 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.05 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' ASN . 83.8 mt -63.32 -59.21 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.673 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 94' ' ' ILE . 73.9 mmtt -56.72 -31.05 64.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.475 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.5 t80 -61.65 -62.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.67 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tppp? -57.52 -27.24 62.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 91' ' ' LYS . 21.9 mt -59.38 -69.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.613 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 94' ' ' ILE . 60.2 mt -53.23 -31.06 41.36 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.59 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 93' ' ' LYS . 74.8 mt -67.83 -33.4 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.564 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -70.35 -33.66 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.196 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HE3' HG23 ' A' ' 94' ' ' ILE . 2.3 mptm? -61.12 -54.17 47.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.4 ttm -65.43 -29.81 70.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -60.36 -50.22 74.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.08 -48.13 81.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 t 62.11 161.01 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.271 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.27 77.06 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -136.16 -47.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.677 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.09 98.73 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.422 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.79 -105.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.454 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -127.7 144.49 51.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.14 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.0 m -95.25 -6.12 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -103.07 155.95 18.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtt -101.84 28.14 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -59.33 -18.45 38.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.248 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -89.02 133.12 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.819 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -140.2 -70.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.66 121.1 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -66.98 -13.08 61.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.259 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -72.92 -15.15 61.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.06 -1.86 25.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -69.79 157.82 36.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 40' ' ' VAL . 44.5 t -115.38 175.12 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.108 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 61' ' ' ARG . 37.7 t -49.69 -37.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.769 0.318 . . . . 0.0 111.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.79 -46.77 80.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.246 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 36' ' ' SER . 64.2 t -67.73 -46.25 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.65 -55.62 23.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.366 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.0 m -48.16 -51.87 23.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -68.5 -29.2 67.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' O ' HD22 ' A' ' 48' ' ' LEU . 41.6 t -71.67 -13.74 61.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 57' ' ' CYS . 45.1 mt -119.68 -15.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.775 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -63.16 -66.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 95' ' ' LEU . 8.9 t -114.29 29.52 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 95' ' ' LEU . 5.5 tp -94.52 -70.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.603 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -142.98 -75.57 0.26 Allowed 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.47 -169.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 121.127 0.489 . . . . 0.0 112.211 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.551 ' HG3' HG22 ' A' ' 53' ' ' THR . 6.4 pt-20 -99.72 -173.12 2.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.592 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.67 74.32 6.36 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.092 0.472 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 51' ' ' GLU . 6.2 t -142.24 -37.91 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.769 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.2 t70 -73.67 143.35 81.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.951 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 35.9 Cg_exo -60.71 -0.2 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.879 2.386 . . . . 0.0 113.275 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.63 -37.8 19.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB3' HD11 ' A' ' 45' ' ' ILE . 27.4 p -64.44 -36.76 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.381 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.05 -51.05 61.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -63.02 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.379 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HA ' ' HG ' ' A' ' 81' ' ' LEU . 12.5 tp -87.07 -29.83 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG3' HG11 ' A' ' 37' ' ' VAL . 76.1 ttt180 -74.68 -29.08 61.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.51 -61.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' ILE . 39.2 m-80 -77.4 89.85 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.468 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -55.23 101.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' LEU . 48.1 mm -126.14 117.73 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -70.76 164.37 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -60.18 -29.25 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.676 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.34 -19.91 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mp -103.16 6.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.472 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 37.0 mt -61.16 -50.41 84.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.188 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 92.2 Cg_endo -78.28 -2.87 12.9 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.105 1.87 . . . . 0.0 112.238 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.88 14.29 14.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.01 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 HG21 ' A' ' 65' ' ' ILE . 79.7 mt -121.25 146.36 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.4 m -97.36 -176.76 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.92 -16.2 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.86 -52.59 6.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 8.0 m-20 -63.77 -23.53 67.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.67 -36.06 17.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -60.4 -38.87 85.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.74 -27.79 67.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.249 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' HA ' ' A' ' 60' ' ' LEU . 4.0 mp -79.09 -13.44 59.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.847 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.6 m -102.41 -179.35 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.03 -31.28 69.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.25 -14.65 2.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.55 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.54 135.31 40.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.5 tp -69.84 -44.3 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' ' 90' ' ' ILE . 19.1 m120 -53.84 -36.5 62.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -61.6 -47.63 84.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -29.64 70.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -62.96 -53.83 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.332 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 94' ' ' ILE . 14.4 mmmm -57.97 -31.82 67.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.044 0.45 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' HA ' HD11 ' A' ' 48' ' ' LEU . 33.4 t80 -61.1 -62.1 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.308 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -58.32 -22.44 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.985 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 91' ' ' LYS . 40.8 mt -68.56 -70.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.529 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.806 HD13 HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -49.76 -28.5 6.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.858 0.361 . . . . 0.0 110.797 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 92' ' ' PHE . 75.2 mt -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.275 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.72 -50.45 73.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.451 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -68.46 -30.55 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.052 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.78 -54.23 47.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.0 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD2' ' HG3' ' A' ' 71' ' ' PRO . 56.6 ttt180 -72.54 -24.96 61.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.01 -31.62 66.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.8 m -64.2 117.1 6.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HA ' ' NE1' ' A' ' 106' ' ' TRP . 25.9 ttpp 60.93 106.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD12 ' HG3' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -135.06 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HG3' HD12 ' A' ' 104' ' ' LEU . 45.0 mt-10 -131.92 38.0 3.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.352 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 103' ' ' LYS . 9.4 p90 -138.1 41.02 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -104.52 96.96 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.674 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.133 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.2 p -143.78 15.24 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 62.4 107.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.8 mtp -134.05 12.35 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.808 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -98.55 -65.24 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -131.38 135.49 47.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' H ' ' HE1' ' A' ' 35' ' ' TRP . 39.9 tt0 -105.42 -71.82 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' ' 30' ' ' GLU . 41.8 m-20 -144.07 94.32 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -50.67 -24.75 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.481 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -90.28 -28.85 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.638 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -109.38 25.12 12.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.506 ' HE1' ' H ' ' A' ' 30' ' ' GLU . 6.4 m0 -73.9 142.79 45.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.976 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -101.26 -177.47 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.09 -55.62 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.1 -26.81 61.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.677 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.12 -59.74 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.42 -32.45 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.862 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.5 mt -69.93 -62.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -47.81 -53.61 14.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.734 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -58.8 -46.34 87.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.045 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.6 t -53.13 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.479 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.634 HG12 HD23 ' A' ' 56' ' ' LEU . 47.2 mt -52.46 -52.44 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.203 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.2 p -58.48 -12.22 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.4 p -129.93 2.47 4.84 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 49' ' ' GLU . 4.0 tt -94.64 -71.03 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.867 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.586 ' HG3' HD23 ' A' ' 48' ' ' LEU . 28.4 mt-10 -144.0 -66.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 m -100.29 -169.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 112.35 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.31 -174.08 2.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.195 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.68 74.39 4.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.104 0.478 . . . . 0.0 110.976 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.1 p -142.12 -50.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' LEU . 15.0 t70 -59.5 146.68 79.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.649 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.67 -0.4 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.805 2.336 . . . . 0.0 113.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD23 HG12 ' A' ' 45' ' ' ILE . 28.7 tp -48.93 -37.5 20.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.6 p -75.37 -33.22 61.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -60.22 -34.64 73.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -78.03 -55.21 5.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.208 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -52.16 -33.43 40.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -76.86 -41.2 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.53 -26.95 65.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.476 ' O ' HG12 ' A' ' 65' ' ' ILE . 38.0 m-80 -111.02 89.86 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.286 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -52.81 109.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.2 mm -133.19 139.37 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -106.29 166.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.15 -24.32 58.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.801 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' H ' HG13 ' A' ' 66' ' ' VAL . 25.3 t70 -76.86 -6.77 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.4 mp -104.19 -15.35 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.571 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 97.0 mt -63.84 -50.48 70.42 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.803 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 97.9 Cg_endo -84.56 -3.34 9.99 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.289 1.993 . . . . 0.0 112.677 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.61 -33.38 13.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.91 171.33 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.0 m -119.71 -164.82 1.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.74 -10.28 35.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -63.31 -56.73 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.32 -25.95 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.68 -51.41 56.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.33 -37.26 86.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.51 -32.37 73.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.016 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -13.17 61.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.634 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.41 156.68 17.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.515 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.51 -24.59 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.23 -8.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.601 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.36 111.31 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.71 -47.22 79.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -53.03 -31.96 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -68.01 -43.23 79.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.4 -33.66 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.43 -53.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -59.39 -37.05 76.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -57.46 -61.16 2.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -55.39 -39.82 70.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.701 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.36 -61.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 48' ' ' LEU . 75.4 mt -48.17 -31.82 6.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.755 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 93' ' ' LYS . 66.9 mt -74.06 -36.85 45.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.327 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -67.61 -43.68 79.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.55 -34.72 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.7 tpt -67.63 -46.75 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -59.72 -57.68 11.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.15 -10.84 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p 54.06 -171.42 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.777 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 53.6 pttt -117.64 111.17 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.52 -76.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -125.72 98.59 5.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.05 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.777 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -103.91 11.56 35.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.791 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -130.74 93.74 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t 61.97 107.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -134.99 146.55 49.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.5 mtm -123.26 117.46 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -165.24 126.55 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -147.67 145.82 29.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.57 -23.51 8.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.731 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.28 112.26 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.15 -8.98 13.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.355 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -67.37 -20.15 65.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -101.73 -24.39 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -62.88 109.74 1.55 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -104.29 -176.82 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.478 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.7 -47.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.45 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -58.55 -46.13 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.725 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.43 -53.28 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.819 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.0 t -56.37 -46.04 81.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.26 -60.51 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -51.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -48.75 -52.17 25.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.603 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 22.3 t -50.15 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.863 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG12 HD23 ' A' ' 56' ' ' LEU . 49.7 mt -54.79 -38.15 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.266 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.0 t -59.52 -12.83 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 95' ' ' LEU . 10.0 t -148.4 12.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HA ' HD11 ' A' ' 95' ' ' LEU . 7.0 tt -94.18 -70.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.404 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.92 -71.5 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.112 0.482 . . . . 0.0 111.888 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -94.17 -174.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.775 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 53' ' ' THR . 10.9 pt-20 -106.23 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.62 71.83 4.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 51' ' ' GLU . 58.1 p -144.78 -53.03 0.3 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.95 152.59 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.412 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.29 -5.93 4.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.453 2.102 . . . . 0.0 111.913 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 45' ' ' ILE . 28.3 tp -52.13 -41.82 62.83 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.7 p -66.66 -32.3 73.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.718 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -68.28 -35.43 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -70.52 -49.76 44.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 81' ' ' LEU . 87.5 mt -59.92 -43.59 94.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -62.18 -51.6 67.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.4 -36.95 55.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.091 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -93.93 89.2 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.454 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.09 97.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.736 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.3 mm -125.44 105.58 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' CG1' HD13 ' A' ' 69' ' ' LEU . 12.0 p -66.17 159.77 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.578 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.657 ' HA2' HD13 ' A' ' 70' ' ' LEU . . . -60.24 -22.08 57.79 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.851 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -77.48 2.76 15.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 0.0 111.485 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 ' CG1' ' A' ' 66' ' ' VAL . 2.1 mp -107.81 -34.86 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.667 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.657 HD13 ' HA2' ' A' ' 67' ' ' GLY . 8.2 mp -48.99 -51.79 52.64 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 50.4 Cg_endo -68.39 -12.88 36.18 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.073 1.849 . . . . 0.0 112.633 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.06 -18.94 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 94.3 mt -84.27 151.24 24.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 t -103.1 -177.88 3.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.29 -39.94 73.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 77' ' ' ASP . 13.0 pt20 -55.53 -49.5 72.47 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.968 0.413 . . . . 0.0 110.481 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 9.7 m-20 -61.96 -43.04 99.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.877 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 76.1 m -53.77 -37.48 63.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.181 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.22 -41.6 96.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.743 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.31 -30.07 70.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.367 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 60' ' ' LEU . 3.7 mm? -76.2 -22.65 55.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.737 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.8 m -99.81 -176.42 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.52 -32.55 65.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.77 -12.06 2.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.638 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.01 146.56 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -73.92 -52.27 13.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.2 m-80 -49.35 -47.36 47.48 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -55.71 -42.92 75.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.518 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.71 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 87' ' ' ASN . 70.6 mt -62.6 -54.71 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.11 -35.08 69.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -61.27 -60.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.806 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 96' ' ' ILE . 25.4 tptp -56.97 -34.89 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.425 HG23 ' HE2' ' A' ' 98' ' ' LYS . 37.9 mt -57.22 -63.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.3 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 48' ' ' LEU . 30.7 mt -48.41 -33.91 9.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 93' ' ' LYS . 62.7 mt -71.6 -36.21 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.375 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -59.87 -48.27 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.355 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -63.75 -50.4 69.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.532 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 48.3 ttp -62.61 -23.27 66.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.972 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -76.03 -53.69 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.95 -12.08 60.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.3 m 60.79 177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.299 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.564 ' HD3' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -57.97 132.37 53.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.891 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.1 mt -108.9 -80.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -146.2 85.49 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -133.99 12.34 3.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -118.49 102.68 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.743 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.085 -179.746 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m 61.06 -83.98 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -115.88 -49.24 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.98 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 54.5 ttm 58.07 76.0 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.626 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -146.36 -40.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.711 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -60.95 140.56 57.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.578 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -99.7 -30.43 12.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.218 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.4 114.85 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -89.57 -12.55 39.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.57 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.6 p -69.16 -15.98 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.648 0.261 . . . . 0.0 111.09 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -107.53 7.53 28.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.263 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.14 136.79 48.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 40' ' ' VAL . 51.8 m -100.44 -174.43 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.772 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.41 -53.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.306 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.24 -33.31 73.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.661 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.27 -51.65 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.558 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' SER . 58.4 t -63.08 -42.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.699 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.63 -57.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.5 m -55.29 -59.15 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -54.92 -54.63 40.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.7 t -46.53 -69.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.422 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.5 mt -48.66 -55.57 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.111 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 m -57.59 -13.12 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.6 p -128.25 -0.65 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 92' ' ' PHE . 6.8 tp -95.01 -69.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.975 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.9 -75.85 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.5 -171.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -107.8 -173.02 2.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.248 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -76.86 74.03 3.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.138 0.495 . . . . 0.0 110.734 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.4 p -142.59 -47.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.381 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.0 t70 -63.91 145.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.024 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.5 Cg_exo -57.98 0.54 0.31 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.965 2.443 . . . . 0.0 113.287 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -42.92 -35.67 1.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.73 0.3 . . . . 0.0 111.293 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.94 -44.46 89.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -56.95 -47.1 81.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -61.83 -37.58 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HG ' ' A' ' 81' ' ' LEU . 83.2 mt -74.63 -32.67 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -71.06 -35.5 71.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.088 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.13 -39.7 69.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 0.0 109.882 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.6 m-80 -111.82 93.76 4.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.207 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.49 100.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 46.4 mm -99.58 141.27 17.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.1 p -117.53 164.57 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.261 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -55.51 -42.87 85.15 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.023 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -77.28 5.38 8.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.606 0.241 . . . . 0.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 65' ' ' ILE . 60.7 tp -114.45 -18.21 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.016 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 96' ' ' ILE . 72.9 mt -61.3 -45.47 95.08 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.913 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 70' ' ' LEU . 3.8 Cg_exo -77.73 -21.72 10.99 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.364 2.042 . . . . 0.0 112.761 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.59 -32.77 68.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.0 mt -72.42 151.02 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.088 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 23.4 p -101.97 -176.15 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.78 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.94 -11.14 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -81.65 -57.0 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.79 -30.1 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 78.8 m -74.86 -36.34 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 41.6 tt0 -63.15 -38.71 92.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.436 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.65 -33.83 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.175 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.5 mp -72.02 -15.0 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -100.35 -176.72 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.58 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.47 -19.32 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.09 -7.01 6.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.19 131.7 36.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.28 -53.35 45.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.698 HD22 HD12 ' A' ' 90' ' ' ILE . 10.1 m120 -50.2 -34.88 24.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 27.3 tptp -60.5 -50.36 73.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.59 -27.47 68.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.072 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.698 HD12 HD22 ' A' ' 87' ' ' ASN . 72.7 mt -63.6 -58.03 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -56.29 -32.69 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.411 . . . . 0.0 110.528 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' HA ' HD11 ' A' ' 48' ' ' LEU . 65.6 t80 -59.29 -64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.442 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -60.29 -21.73 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.032 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 95' ' ' LEU . 20.8 mt -68.84 -69.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.44 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 48' ' ' LEU . 76.2 mt -50.77 -30.35 13.86 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.706 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 70' ' ' LEU . 69.7 mt -74.5 -41.35 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.979 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.36 -34.92 79.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.571 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -64.67 -51.15 64.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.573 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.0 -27.97 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.718 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -71.35 -53.05 15.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.88 -25.2 68.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.4 m -61.51 133.65 55.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -163.07 90.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.77 -64.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -125.36 30.86 5.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -140.56 64.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -105.49 92.67 4.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.881 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.115 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 m -148.54 -11.61 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 59.44 -175.81 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 ptp -110.24 68.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -141.31 107.86 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -158.04 110.62 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.17 -48.87 3.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.33 124.8 22.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -70.68 -14.55 62.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.263 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.1 m -65.28 -15.02 62.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -101.7 -26.57 13.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.431 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -58.49 113.89 2.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.402 . . . . 0.0 111.234 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -102.86 -173.09 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.03 -35.38 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.65 -33.07 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.505 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.41 -43.14 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.367 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -67.6 -49.64 68.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.53 -59.39 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -53.18 -60.6 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.004 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -50.14 -51.15 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.596 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' SG ' HD22 ' A' ' 48' ' ' LEU . 48.7 t -53.92 -68.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.359 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 68.5 mt -52.84 -30.68 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.096 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 t -64.48 -12.73 46.93 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 HD13 ' A' ' 95' ' ' LEU . 6.9 t -157.31 14.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD22 ' SG ' ' A' ' 44' ' ' CYS . 8.6 tp -89.15 -70.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.779 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -143.05 -72.16 0.3 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.0 m -104.13 -165.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.202 0.525 . . . . 0.0 112.376 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.3 -172.44 2.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.25 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.25 73.97 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.09 0.472 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.8 p -142.43 -46.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.9 t70 -59.59 146.14 81.03 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.735 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 -0.52 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.731 2.287 . . . . 0.0 113.392 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 21.9 tp -51.65 -40.49 60.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.3 p -72.01 -31.1 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -68.81 -32.99 73.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -73.53 -43.16 60.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.553 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.19 -33.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -79.41 -36.04 39.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.21 -33.36 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.608 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -116.67 90.65 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.574 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.77 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.941 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mm -126.51 111.49 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.022 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.7 p -67.72 160.0 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.64 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -62.83 -6.94 13.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.815 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 66' ' ' VAL . 24.1 t70 -77.14 -7.52 55.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 111.169 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 3.9 mm? -100.26 -30.24 12.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.268 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 75.6 mt -46.46 -49.7 43.45 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.066 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 26.6 Cg_exo -64.01 -21.77 68.27 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.297 1.998 . . . . 0.0 112.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.92 15.4 18.53 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 69' ' ' LEU . 20.0 mt -95.66 115.99 28.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.975 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.3 m -72.46 173.74 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.77 -19.34 65.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.88 -59.39 3.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.78 -30.81 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.9 m -71.36 -38.35 71.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.98 -42.76 89.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -61.67 -38.78 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.313 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.13 -13.53 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.776 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 69.0 m -102.3 177.33 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.85 -31.73 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.74 -17.09 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.27 115.93 13.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 111.065 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 90' ' ' ILE . 59.4 tp -59.83 -39.63 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.707 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -49.51 -45.54 47.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -52.9 -39.41 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.577 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -65.07 -40.97 95.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.08 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -52.48 -52.77 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-O 120.758 0.313 . . . . 0.0 110.493 179.214 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -58.85 -33.95 71.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.114 0.483 . . . . 0.0 110.321 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 19.8 t80 -62.4 -60.74 3.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.729 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.56 -24.78 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.292 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 95' ' ' LEU . 36.8 mt -69.44 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.765 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 47' ' ' THR . 88.7 mt -49.12 -32.72 10.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 110.844 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.47 -31.33 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.337 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -69.1 -50.9 43.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.037 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 103' ' ' LYS . 4.8 mptp? -62.27 -48.61 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.171 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -55.71 -37.33 68.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -60.05 -65.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.79 -70.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -168.49 145.23 3.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HG2' ' HB3' ' A' ' 98' ' ' LYS . 10.4 mtmp? -104.14 22.36 14.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.9 tp -128.89 -36.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.431 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.59 92.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.663 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.98 15.07 5.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -112.58 102.82 10.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.956 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t 56.77 86.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 56.82 -91.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.7 mmm -142.78 124.55 15.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -108.5 120.21 41.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -98.55 150.47 21.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.65 -46.52 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.988 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.66 132.41 48.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -87.59 -13.1 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.7 m -72.26 -16.13 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.274 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -102.15 -2.53 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.017 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.526 ' HE3' HG22 ' A' ' 40' ' ' VAL . 21.8 m0 -58.26 148.64 26.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 78.6 p -111.43 -179.13 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.6 t -56.95 -64.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.368 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.97 -23.99 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.394 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.2 -54.98 9.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG22 ' HE3' ' A' ' 35' ' ' TRP . 52.3 t -60.73 -43.04 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.345 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.7 -57.57 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.816 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -54.03 -62.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.757 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -50.64 -41.85 55.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.569 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 48' ' ' LEU . 47.4 t -57.38 -67.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.522 HG12 HD23 ' A' ' 56' ' ' LEU . 61.3 mt -54.32 -30.34 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.718 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 m -60.36 -12.67 9.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.02 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.523 HG23 HD13 ' A' ' 95' ' ' LEU . 5.8 t -163.3 20.07 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 44' ' ' CYS . 14.8 tp -87.12 -71.53 0.55 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.615 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG3' HG13 ' A' ' 50' ' ' VAL . 10.2 tp10 -143.94 -66.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.433 . . . . 0.0 111.807 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG13 ' HG3' ' A' ' 49' ' ' GLU . 32.5 m -107.0 -165.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.972 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.29 -177.27 3.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.359 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.44 74.07 3.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.063 0.459 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -142.52 -47.25 0.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.192 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.0 t70 -57.34 144.34 71.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.07 -0.35 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.838 2.359 . . . . 0.0 113.239 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD23 HG12 ' A' ' 45' ' ' ILE . 10.6 tp -49.5 -40.13 36.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.893 0.378 . . . . 0.0 110.934 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.359 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.92 -47.19 83.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.199 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -62.67 -54.74 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.06 -36.92 61.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.274 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -62.31 -49.36 75.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.239 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -52.64 -52.44 55.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 65' ' ' ILE . 91.1 m-20 -96.54 90.45 5.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -44.73 111.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.727 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.1 mm -107.13 141.32 22.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 67' ' ' GLY . 14.7 p -127.83 161.29 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.508 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.29 -33.15 69.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.46 -10.6 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.104 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -100.52 -11.73 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 93.9 mt -67.12 -50.38 41.18 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.982 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.8 Cg_endo -78.09 -11.3 16.38 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.098 1.865 . . . . 0.0 112.731 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.4 2.82 26.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 pp -141.82 157.56 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 111.176 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -96.8 -167.83 1.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.732 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 75' ' ' LEU . 6.4 mp -67.23 -8.1 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.25 -63.54 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.48 -24.95 68.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 64.9 m -68.42 -49.02 63.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.32 -33.97 75.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.12 -35.34 76.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.165 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -70.91 -13.26 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.6 m -103.42 -176.05 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.713 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.58 -16.64 64.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.38 1.18 8.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.329 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.11 131.63 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 90' ' ' ILE . 46.7 tp -64.94 -52.01 58.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 90' ' ' ILE . 78.5 m-20 -52.32 -27.74 16.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.071 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -52.68 42.59 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.312 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.6 -27.75 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.193 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 87' ' ' ASN . 81.2 mt -62.89 -56.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.588 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 94' ' ' ILE . 5.8 mptp? -56.29 -33.53 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.015 0.436 . . . . 0.0 110.318 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.81 -60.85 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.624 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -57.29 -26.06 60.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.216 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 91' ' ' LYS . 39.6 mt -65.7 -69.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.712 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 47' ' ' THR . 82.7 mt -52.38 -25.88 11.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 70' ' ' LEU . 74.8 mt -76.43 -35.52 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.768 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.05 -49.71 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.422 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -67.95 -35.45 78.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.5 tpp -71.42 -23.86 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.755 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -72.54 -53.28 12.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.494 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -65.42 -49.77 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t 56.14 91.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.63 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -157.03 110.69 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.08 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.62 -67.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.98 74.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -132.68 12.36 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -119.43 103.39 9.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.942 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.6 p 50.71 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.493 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -88.67 -10.14 49.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.736 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.5 ttp -78.08 142.26 38.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.62 ' H ' HD22 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -145.44 6.81 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.543 HD22 ' HE1' ' A' ' 35' ' ' TRP . 3.0 p-10 -99.11 151.64 20.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.811 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -130.12 -55.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.86 124.28 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -70.46 -17.07 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.245 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.69 -17.3 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -107.95 9.14 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.543 ' HE1' HD22 ' A' ' 29' ' ' ASN . 32.0 m0 -76.44 140.72 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.21 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -103.01 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.554 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.71 -41.1 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.267 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.58 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.238 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.73 -34.09 75.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.34 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.46 -47.4 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.31 -50.11 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.9 m -58.77 -57.34 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.646 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.65 -44.04 76.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.4 t -55.06 -70.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.547 HG12 HD23 ' A' ' 56' ' ' LEU . 58.4 mt -52.78 -28.8 13.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.773 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.7 t -60.35 -12.66 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.002 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -163.09 16.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -83.87 -70.41 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.231 -179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 88' ' ' LYS . 9.3 mm-40 -143.3 -67.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.93 -162.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.032 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -99.06 -176.19 3.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.303 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.16 74.35 2.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.002 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p -142.98 -46.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.15 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.3 t70 -58.78 146.39 75.42 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.162 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.34 -0.15 0.3 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.966 2.444 . . . . 0.0 113.356 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HG12 ' A' ' 45' ' ' ILE . 20.7 tp -49.65 -25.51 2.92 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.986 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.02 -47.8 56.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.17 -47.44 85.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -58.17 -51.75 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.107 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD23 ' HG ' ' A' ' 81' ' ' LEU . 93.8 mt -59.67 -31.98 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -71.8 -32.8 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -52.75 -63.26 1.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.155 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -87.73 89.3 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.39 93.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.7 mm -122.2 111.15 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 69' ' ' LEU . 35.3 m -61.04 170.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.228 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -72.99 -13.51 79.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.091 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.26 -10.52 59.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.5 mp -106.62 -8.47 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.41 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' HG ' ' HA2' ' A' ' 67' ' ' GLY . 95.8 mt -57.13 -50.23 89.37 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.762 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.9 Cg_endo -80.5 -6.18 13.54 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.177 1.918 . . . . 0.0 112.567 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -94.06 -29.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.17 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.35 145.52 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.5 m -88.02 -169.16 2.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.1 -17.51 64.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.304 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -59.53 -53.45 58.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.784 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.4 m-20 -68.58 -23.98 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.662 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 85.7 m -77.8 -29.28 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -75.64 -37.04 60.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.96 -15.44 63.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.171 0.51 . . . . 0.0 109.745 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' HD23 ' A' ' 60' ' ' LEU . 2.5 mp -90.12 -13.37 35.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.6 t -102.35 161.54 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.34 -19.73 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.017 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.48 6.47 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.67 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -93.47 118.43 31.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -63.17 -46.7 85.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' HA ' HD12 ' A' ' 90' ' ' ILE . 38.1 t30 -52.2 -30.73 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.261 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -69.87 -50.56 41.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -27.41 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.308 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 86' ' ' LEU . 93.8 mt -67.81 -56.49 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.683 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 94' ' ' ILE . 13.1 mmmm -57.46 -27.95 62.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.046 0.451 . . . . 0.0 110.475 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.0 t80 -63.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LYS . 43.6 mt -65.09 -67.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.491 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.4 mt -48.88 -31.79 7.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.764 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 70' ' ' LEU . 61.4 mt -77.48 -34.95 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.391 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -67.25 -40.73 86.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -73.07 -46.14 53.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.831 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -58.88 -38.35 78.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.43 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -77.1 -29.53 54.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.74 -70.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -167.67 175.78 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.535 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 39.3 ttpt -64.2 130.28 43.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.9 tp -114.71 -53.56 2.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.018 0.437 . . . . 0.0 110.305 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -173.93 72.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.179 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.535 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 5.4 m95 -101.03 9.46 42.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 107' ' ' LYS . 8.4 mtpm? -119.94 92.53 3.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.88 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.2 m -82.99 134.71 35.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -114.68 9.34 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.0 mtt -80.43 -172.82 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -65.09 -54.64 26.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.332 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' GLN . 61.7 t30 64.71 159.08 0.1 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -135.62 -22.49 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.51 135.86 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -78.03 -21.69 50.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -72.65 -14.87 61.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 29' ' ' ASN . 14.8 mm100 -107.84 3.43 24.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.141 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 m0 -63.81 164.25 10.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 111.039 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -113.94 -173.63 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.756 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.77 -39.96 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.61 -34.16 76.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.459 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.56 -46.55 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.59 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.59 -46.87 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.53 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 57' ' ' CYS . 90.4 mt -62.62 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.71 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 m -49.68 -57.31 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.773 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -54.97 -40.67 70.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.3 t -58.37 -68.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG12 HD23 ' A' ' 56' ' ' LEU . 53.0 mt -54.02 -26.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.518 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -63.09 -12.71 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.922 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 t -167.15 26.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.9 OUTLIER -89.87 -71.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.09 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -143.92 -59.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 m -115.12 -163.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.139 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.6 pt-20 -99.21 -174.0 2.64 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.44 73.99 4.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.191 0.52 . . . . 0.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.431 HG23 ' HG3' ' A' ' 51' ' ' GLU . 59.1 p -142.81 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.229 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 17.8 t70 -61.61 145.73 91.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 43.9 Cg_exo -58.4 0.17 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.938 2.425 . . . . 0.0 113.373 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 HG12 ' A' ' 45' ' ' ILE . 16.5 tp -47.89 -42.32 26.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' SG ' HG21 ' A' ' 41' ' ' ILE . 9.3 t -65.95 -33.63 76.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.357 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -61.19 -54.94 38.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.128 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -56.44 -50.34 71.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.176 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 56' ' ' LEU . 11.0 mp -58.88 -35.29 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -72.14 -30.33 64.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 -47.62 66.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.724 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -103.74 87.1 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.59 110.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.002 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mm -126.69 114.75 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.7 p -64.75 162.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -65.86 -16.22 63.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.677 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.14 -11.48 59.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.9 mp -102.52 -13.16 17.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.321 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' HB3' HG21 ' A' ' 96' ' ' ILE . 98.8 mt -56.21 -50.65 86.26 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.841 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 88.9 Cg_endo -78.81 -15.8 13.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.048 1.832 . . . . 0.0 112.354 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -80.62 -28.81 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.272 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.19 170.08 13.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 111.17 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.8 m -114.43 -173.38 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.24 -15.6 62.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -67.81 -53.36 27.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.48 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 59.2 m -64.89 -42.43 94.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.24 -34.86 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.62 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.44 -13.47 62.14 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.3 t -106.99 164.95 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.453 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.49 -32.37 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.32 45.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.631 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -125.28 120.95 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 110.726 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.17 -48.16 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.5 m-20 -50.74 -42.51 57.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -60.46 -39.25 86.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.36 -27.0 63.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.4 mt -64.16 -61.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.517 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -57.56 -32.96 67.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.645 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.43 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.522 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.98 -25.7 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 98' ' ' LYS . 33.3 mt -69.95 -67.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.692 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 94' ' ' ILE . 62.2 mt -50.0 -26.9 4.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.879 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.546 HG21 ' HB3' ' A' ' 70' ' ' LEU . 96.2 mt -76.08 -38.59 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.31 -46.06 91.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.565 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' HE2' HG23 ' A' ' 94' ' ' ILE . 3.4 mptp? -67.39 -41.69 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.5 tpt -61.24 -25.99 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.798 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -76.74 -44.47 33.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.441 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.99 -70.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -97.35 167.05 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 23.0 2.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 tp -127.34 -28.15 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.417 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.48 84.26 6.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.52 16.34 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.954 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -120.25 94.76 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.842 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.424 -0.271 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.4 t -124.02 135.33 53.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 111.004 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -93.58 113.96 26.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.9 mtt -104.54 132.25 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -102.55 167.95 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -66.66 149.13 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.59 -44.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.78 117.83 5.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -82.04 -8.54 59.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -72.57 -22.78 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -102.91 3.29 36.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -67.35 139.65 57.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -100.58 -177.77 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.41 -36.39 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.337 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.96 -32.13 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.563 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.36 -42.73 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.6 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.36 -46.21 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.503 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -64.26 -57.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.2 m -49.79 -61.79 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.881 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -54.17 -46.24 72.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.158 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.8 t -52.44 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.44 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.525 HG12 HD23 ' A' ' 56' ' ' LEU . 65.6 mt -51.82 -52.39 22.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.272 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.7 m -56.99 -12.74 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.4 p -130.4 3.14 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.643 ' HA ' HD11 ' A' ' 95' ' ' LEU . 5.0 tt -94.41 -70.24 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.994 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.99 -66.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -105.0 -166.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.146 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.63 -175.74 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.263 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -77.42 74.18 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.161 0.505 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 p -142.29 -47.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.346 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LEU . 13.6 t70 -60.62 146.26 86.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.7 -1.18 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.912 2.408 . . . . 0.0 113.243 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD23 HG12 ' A' ' 45' ' ' ILE . 26.5 tp -52.98 -39.56 63.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.609 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.6 -32.79 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.778 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.448 HE22 ' NH2' ' A' ' 61' ' ' ARG . 8.4 tp-100 -62.78 -38.86 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -71.26 -46.51 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD23 ' HG ' ' A' ' 81' ' ' LEU . 88.5 mt -59.96 -50.41 73.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' NH2' HE22 ' A' ' 58' ' ' GLN . 60.8 ttp180 -57.27 -44.25 83.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -49.94 -50.95 44.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.687 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.467 ' O ' HG12 ' A' ' 65' ' ' ILE . 36.8 m-80 -93.18 90.56 6.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.265 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.58 102.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.9 mm -129.61 133.15 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.4 m -85.32 -176.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.459 ' HA2' ' HG ' ' A' ' 70' ' ' LEU . . . -80.82 -15.53 77.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.028 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.28 -13.72 59.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 66' ' ' VAL . 6.8 mp -102.75 -5.76 23.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.458 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 96.8 mt -61.57 -51.1 79.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.468 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 87.5 Cg_endo -78.23 -16.77 13.66 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.11 1.873 . . . . 0.0 112.397 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -78.9 -31.29 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -90.37 129.61 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.5 m -79.58 -170.14 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.48 -11.92 27.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.89 -63.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.682 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.86 -31.71 71.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 63.6 m -62.63 -39.32 93.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.815 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -71.3 -38.78 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.32 -25.22 66.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.084 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' HD23 ' A' ' 60' ' ' LEU . 1.7 mp -79.28 -13.29 59.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.0 t -103.48 165.73 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.56 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.49 -18.33 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 -7.01 2.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.361 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.43 135.46 38.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.701 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -77.34 -49.84 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.283 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.2 m120 -46.97 -42.42 17.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.458 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.9 -49.3 77.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.1 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.331 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.4 mt -60.94 -53.52 48.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.93 -36.67 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.506 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.7 t80 -59.56 -60.52 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.957 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -37.91 62.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.093 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.87 -65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.339 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 48' ' ' LEU . 49.4 mt -45.94 -32.27 2.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.1 mt -70.04 -43.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -55.18 -47.33 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.554 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 1.1 mptm? -65.11 -34.04 77.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.817 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.64 -38.23 84.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -70.17 -41.4 73.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.34 -37.88 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.9 p 52.13 16.96 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.367 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm 52.82 88.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.2 tp -102.5 -80.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -160.0 40.25 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.777 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -125.78 9.29 7.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.13 102.53 6.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.794 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.929 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m 61.05 15.26 6.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 0.0 111.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -79.66 140.85 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -69.59 99.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -161.99 167.72 24.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.723 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -56.16 112.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.17 -24.55 13.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.555 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.51 102.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -72.25 -8.34 54.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.292 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -100.71 -14.41 18.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.562 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -99.34 20.33 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.684 0.278 . . . . 0.0 111.667 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 125.07 27.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.4 t -100.19 169.15 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 61' ' ' ARG . 60.6 t -58.18 -41.19 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -63.36 -35.06 79.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.018 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.32 -48.69 48.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.308 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 70' ' ' LEU . 59.6 t -59.25 -41.91 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 60' ' ' LEU . 64.0 mt -65.03 -58.0 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.717 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.2 m -49.65 -56.64 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.815 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -60.41 -46.0 91.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.642 0.258 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 40.6 t -52.6 -69.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.999 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 72.1 mt -47.78 -42.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.765 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.7 -28.5 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.088 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.2 p -129.83 16.44 5.78 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -94.27 -70.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.338 -179.102 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 112.006 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.69 -164.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.122 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 53' ' ' THR . 7.3 pt-20 -99.5 -173.86 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.365 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.54 73.94 1.96 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.096 0.474 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.0 p -142.74 -49.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.032 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 14.6 t70 -58.84 146.76 74.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.858 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 51.9 Cg_exo -57.06 0.22 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.97 2.447 . . . . 0.0 113.75 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.1 mt -43.57 -46.5 7.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.374 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.43 -39.33 90.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.281 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.61 -45.81 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -65.77 -55.54 16.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB2' HG12 ' A' ' 41' ' ' ILE . 52.6 mt -54.86 -31.63 59.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HA ' HG11 ' A' ' 37' ' ' VAL . 42.0 ttm180 -72.87 -42.41 63.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.229 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.73 -49.78 69.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.767 0.318 . . . . 0.0 110.659 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -90.0 90.13 8.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.88 102.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.013 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.4 mm -126.56 112.59 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.4 p -70.61 164.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.429 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.95 -28.37 63.46 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.874 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.41 -14.2 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.651 0.262 . . . . 0.0 111.444 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.54 7.27 30.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.671 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 40' ' ' VAL . 69.4 mt -67.23 -50.35 40.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.287 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -81.18 -2.83 11.89 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.189 1.926 . . . . 0.0 112.357 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -82.76 -30.46 28.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.84 179.48 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -126.21 168.7 13.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.18 -23.63 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -75.46 -45.7 36.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 110.649 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -64.74 -27.87 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.682 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.34 -35.26 25.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.84 -39.19 90.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.69 -28.11 68.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 HD23 ' A' ' 60' ' ' LEU . 4.5 mp -80.8 -13.68 58.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -103.96 -179.75 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.22 -12.18 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.61 -14.73 7.19 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.55 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.8 124.88 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.9 tp -65.56 -49.07 70.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' HA ' HD12 ' A' ' 90' ' ' ILE . 77.5 m-20 -52.19 -31.59 32.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.023 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.68 -48.85 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.91 73.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 87' ' ' ASN . 85.7 mt -62.05 -55.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.7 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -56.81 -34.28 67.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.7 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' HA ' HD21 ' A' ' 48' ' ' LEU . 34.0 t80 -60.84 -60.43 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.74 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.17 -27.6 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.21 -65.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 HD22 ' A' ' 48' ' ' LEU . 43.7 mt -46.26 -35.0 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 92' ' ' PHE . 57.9 mt -74.73 -39.65 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.162 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.12 -52.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -63.17 -32.91 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.93 -42.57 99.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.774 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -74.73 -42.31 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.69 -10.1 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -47.18 106.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -59.57 129.54 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.237 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -127.44 -71.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -166.1 76.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -134.36 12.26 3.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.12 113.09 16.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.973 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.936 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p 47.65 91.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.935 0.397 . . . . 0.0 111.273 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -115.24 170.23 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtp -84.7 -33.1 23.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 55.23 73.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.735 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.13 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.8 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -118.87 -32.36 4.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.92 111.31 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -77.37 -9.02 58.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -75.82 -15.19 60.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.315 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.11 11.78 17.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.321 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.91 165.22 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.3 m -123.9 -178.78 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.86 -51.6 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.22 -34.01 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.525 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.12 -48.32 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.597 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' SER . 59.0 t -61.93 -43.46 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.625 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG12 ' HB3' ' A' ' 60' ' ' LEU . 98.9 mt -60.43 -56.45 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.66 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 m -50.95 -63.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.863 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -53.71 -44.1 69.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 46.2 t -53.59 -68.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.96 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -52.37 -29.76 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -58.34 -13.05 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 HD13 ' A' ' 95' ' ' LEU . 6.6 t -160.13 6.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -70.65 -69.68 0.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.251 . . . . 0.0 111.039 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HG2' ' HE3' ' A' ' 88' ' ' LYS . 9.9 tp10 -141.94 -66.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.466 . . . . 0.0 111.36 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.6 m -113.36 -163.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.183 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.596 ' HG3' HG22 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.56 -171.6 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.238 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.76 73.19 6.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.141 0.496 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -143.18 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 21.9 t70 -76.41 144.81 74.9 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.39 -0.03 0.43 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.79 2.327 . . . . 0.0 113.124 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 54' ' ' ASP . 62.4 tp -49.25 -29.84 6.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.705 0.288 . . . . 0.0 111.246 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.27 -37.47 66.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.723 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.19 -45.96 89.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -64.94 -44.95 87.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB3' HG12 ' A' ' 41' ' ' ILE . 7.8 mt -59.36 -36.14 75.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.77 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.76 -30.43 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.15 -43.25 99.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.213 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.543 ' O ' HG12 ' A' ' 65' ' ' ILE . 92.4 m-20 -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.105 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.8 95.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.6 mm -107.42 140.18 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.0 p -115.75 167.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -57.56 -33.26 66.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.269 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -77.54 -5.82 51.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.962 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 65' ' ' ILE . 1.3 mp -99.89 -15.41 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.483 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.593 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 90.2 mt -67.68 -50.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.448 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 82.9 Cg_endo -89.14 -1.86 6.2 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.407 2.071 . . . . 0.0 112.616 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -94.19 -23.6 17.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.349 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.74 169.53 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.4 m -112.8 -165.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.54 -17.23 64.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.27 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.74 -56.8 17.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 0.0 110.527 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.03 -42.46 97.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.2 m -52.21 -41.81 63.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.08 -40.53 82.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.29 -23.95 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.251 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.79 -22.3 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.9 t -102.82 165.93 10.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.639 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.71 -25.86 66.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.61 54.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -136.97 114.95 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.634 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 61.7 tp -58.23 -47.27 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.284 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 90' ' ' ILE . 86.7 m-20 -49.74 -43.68 48.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HE3' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -61.13 -41.76 97.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.48 68.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 87' ' ' ASN . 63.1 mt -67.62 -56.69 12.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.48 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -56.53 -30.87 63.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.708 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.84 -63.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.97 -23.99 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 95' ' ' LEU . 25.0 mt -64.58 -66.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 94' ' ' ILE . 57.1 mt -51.42 -31.05 21.49 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.993 0.425 . . . . 0.0 110.449 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.84 -39.05 67.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.195 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -47.09 82.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.92 -31.32 72.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.664 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ttt -67.11 -34.33 77.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -67.09 -44.8 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.25 -22.4 52.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t 58.02 -177.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.73 106.66 0.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HG ' ' HG3' ' A' ' 105' ' ' GLU . 37.6 tp -107.23 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HG3' ' HG ' ' A' ' 104' ' ' LEU . 45.1 mt-10 -128.86 35.73 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -140.02 74.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -100.22 99.28 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.693 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.108 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -63.23 103.07 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 110.755 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.1 m80 59.6 -174.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -166.19 162.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -143.88 -83.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.334 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.565 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 3.2 t-20 65.54 151.53 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -136.66 -42.35 0.61 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.14 107.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -87.09 -11.23 50.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.3 p -65.37 -15.86 63.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -122.28 11.04 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.59 154.41 21.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -106.34 178.04 4.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.72 -47.97 90.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.254 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.65 -33.49 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.51 -42.65 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.378 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.12 -45.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.53 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.05 -54.39 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.6 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.3 m -51.22 -58.99 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.466 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -56.21 -38.61 71.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 52.8 t -59.87 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 56' ' ' LEU . 59.0 mt -52.59 -28.55 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.801 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -63.7 -12.64 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.936 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.416 HG23 HD13 ' A' ' 95' ' ' LEU . 9.0 t -162.02 20.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE2' ' A' ' 88' ' ' LYS . 1.5 tm? -83.38 -70.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.771 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -143.47 -58.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.134 0.492 . . . . 0.0 111.332 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.3 m -113.77 -166.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.525 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.5 pt-20 -99.31 -173.51 2.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.424 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 74.37 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.5 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 51' ' ' GLU . 81.2 p -142.37 -48.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.133 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 56' ' ' LEU . 19.7 t70 -61.69 145.16 92.24 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.722 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.1 -0.35 0.43 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.753 2.302 . . . . 0.0 113.282 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HG12 ' A' ' 45' ' ' ILE . 35.9 tp -48.27 -30.52 4.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.78 -50.15 32.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.34 -27.96 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.06 -57.99 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.48 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.27 -45.94 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.015 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -59.47 -37.62 78.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.8 -51.4 67.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 0.0 110.504 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 65' ' ' ILE . 32.4 m-80 -91.24 91.64 8.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.402 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.88 98.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.127 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 63' ' ' ASN . 44.6 mm -130.08 117.04 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 67' ' ' GLY . 7.3 p -76.26 165.45 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -61.07 -26.84 66.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.087 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.97 -6.53 42.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 111.104 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.7 mp -104.91 -3.32 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.446 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 86.5 mt -69.62 -50.49 18.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 94.6 Cg_endo -86.65 -5.65 8.03 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.344 2.029 . . . . 0.0 112.515 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.36 -30.22 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.237 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.7 168.83 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -104.32 -168.67 1.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.02 -8.52 45.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -61.66 -64.82 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.19 -34.74 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.11 -39.38 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -69.83 -37.58 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.97 -20.0 62.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -87.87 -13.47 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.0 m -99.86 173.64 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -66.55 -15.96 63.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.79 -20.28 4.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' OD2' ' HB2' ' A' ' 87' ' ' ASN . 28.0 t70 -68.84 124.07 22.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.47 -44.39 95.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.532 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.1 m-80 -54.56 -34.71 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.031 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HE2' HD12 ' A' ' 48' ' ' LEU . 16.7 tptm -60.11 -46.97 87.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.469 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.82 -29.5 70.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.3 mt -63.09 -60.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.484 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 94' ' ' ILE . 32.4 mmmt -56.08 -29.35 60.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.009 0.433 . . . . 0.0 110.491 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' HA ' HD21 ' A' ' 48' ' ' LEU . 61.5 t80 -63.76 -64.6 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.506 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -60.77 -20.13 60.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.625 HG23 ' HE2' ' A' ' 98' ' ' LYS . 12.9 mt -66.84 -66.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.26 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 94' ' ' ILE . 53.3 mt -52.21 -36.13 51.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.426 . . . . 0.0 110.235 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 70' ' ' LEU . 31.4 mt -74.4 -28.91 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.37 -63.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.625 ' HE2' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.55 -36.14 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.8 ttt -58.26 -37.63 75.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.039 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.81 -41.84 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.127 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -56.23 -39.34 72.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.6 m 58.08 -173.37 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 59.16 36.74 24.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.48 -29.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.63 69.31 7.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.43 14.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.176 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.41 98.45 3.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.916 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 m -130.85 120.74 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -82.74 97.19 8.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.0 ttp -92.83 -1.54 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.9 t30 60.31 91.75 0.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -106.05 -176.59 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.696 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.24 -15.62 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.76 132.48 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -89.3 -14.19 36.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -68.03 -16.98 64.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -99.87 -16.65 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -57.77 160.16 4.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.337 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -128.5 -174.72 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.252 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.58 -47.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.718 0.294 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.66 -38.79 91.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.1 -44.21 80.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.499 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.4 t -67.82 -37.46 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.526 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' A' ' 60' ' ' LEU . 91.0 mt -68.12 -60.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.76 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.0 m -53.59 -55.28 27.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.768 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -53.01 -52.93 56.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.385 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.479 ' SG ' HD22 ' A' ' 48' ' ' LEU . 43.5 t -54.47 -65.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.413 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.8 mt -51.76 -35.72 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.23 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.7 m -61.2 -18.09 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.589 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -146.43 13.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD22 ' SG ' ' A' ' 44' ' ' CYS . 12.5 tp -91.53 -71.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -75.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.149 0.5 . . . . 0.0 111.511 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.5 m -89.82 -174.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.82 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 53' ' ' THR . 9.9 pt-20 -109.02 -170.6 1.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.418 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.49 71.8 4.0 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.363 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 51' ' ' GLU . 80.5 p -144.51 -51.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.313 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 152.38 44.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.425 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.2 -3.31 7.13 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.562 2.174 . . . . 0.0 111.812 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.4 tp -52.08 -41.98 62.84 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.7 p -58.95 -34.26 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.93 -34.3 73.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.59 -51.43 50.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HB2' HG12 ' A' ' 41' ' ' ILE . 78.8 mt -59.9 -37.43 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.281 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -75.08 -25.32 58.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.993 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.95 -49.88 72.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.527 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 65' ' ' ILE . 50.9 m-20 -104.32 91.18 3.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.345 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -53.04 108.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 63' ' ' ASN . 45.7 mm -135.18 141.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -92.45 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -63.24 -19.6 62.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.801 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.25 -8.28 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD13 ' CG1' ' A' ' 66' ' ' VAL . 4.8 mp -105.49 -17.23 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.27 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' HB3' HG21 ' A' ' 96' ' ' ILE . 96.7 mt -53.73 -49.92 86.42 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.809 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 66.0 Cg_endo -72.72 -7.67 21.17 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.062 1.841 . . . . 0.0 112.513 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -95.38 -23.95 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 87.6 mt -86.47 141.96 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.0 m -91.35 -176.96 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.04 -19.28 61.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.6 -57.05 10.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 10.4 m-20 -66.53 -27.64 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.372 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.19 -43.66 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.513 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.97 -39.15 93.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.4 -32.11 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.112 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.02 -13.26 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.9 m -102.97 -178.59 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.604 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.15 -23.93 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.21 6.09 2.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.446 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.47 144.9 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.73 0.3 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 90' ' ' ILE . 32.3 tp -71.6 -58.68 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -44.44 -39.97 5.16 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.529 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.94 -45.14 87.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 92' ' ' PHE . . . -63.36 -36.39 83.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -55.0 -55.49 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.655 179.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -57.01 -34.06 67.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 110.411 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' HA ' HD11 ' A' ' 48' ' ' LEU . 39.6 t80 -62.27 -62.02 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -59.13 -21.93 60.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 95' ' ' LEU . 34.9 mt -71.32 -69.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.686 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.589 HD13 HG23 ' A' ' 47' ' ' THR . 71.7 mt -49.68 -31.78 11.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG21 ' HB3' ' A' ' 70' ' ' LEU . 52.8 mt -76.91 -37.67 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.466 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -62.95 -47.09 84.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.354 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.13 -38.99 93.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.776 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 46.2 tpp -61.79 -35.58 78.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -67.56 -53.16 30.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -62.64 -21.55 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 t -66.32 -177.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt 60.55 84.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 104' ' ' LEU . 7.6 mp -103.05 -71.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -173.61 88.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.727 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -129.47 14.83 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.18 97.04 4.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.813 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.02 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.1 p -153.0 -26.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -98.9 -45.83 5.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.8 ttm -159.46 99.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -72.84 -179.41 3.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -75.95 -172.93 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.49 -79.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -141.96 87.91 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -49.82 -28.32 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -85.59 -25.92 26.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.48 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -119.05 30.78 6.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 111.307 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -75.64 157.17 34.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.032 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -110.66 177.34 4.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 61' ' ' ARG . 59.2 t -60.98 -40.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.344 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.38 -42.62 87.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.456 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.85 -41.3 78.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.489 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG11 HD21 ' A' ' 70' ' ' LEU . 96.1 t -64.43 -38.71 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.48 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.439 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.9 mt -70.84 -54.8 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.682 0.277 . . . . 0.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.9 m -51.53 -55.75 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.52 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.02 -41.13 77.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 41.0 t -57.33 -69.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.55 HG12 HD23 ' A' ' 56' ' ' LEU . 40.6 mt -54.41 -24.22 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.637 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -64.55 -12.86 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.802 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 95' ' ' LEU . 9.4 t -164.43 19.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -82.94 -70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.967 -179.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.84 -62.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.934 0.397 . . . . 0.0 111.545 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.49 -166.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.943 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.571 ' HG3' HG22 ' A' ' 53' ' ' THR . 5.7 pt-20 -99.4 -170.5 1.92 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.19 73.76 3.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 110.717 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.571 HG22 ' HG3' ' A' ' 51' ' ' GLU . 3.8 t -143.06 -39.7 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.453 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' LEU . 20.6 t70 -72.51 144.9 86.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.092 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.6 0.24 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.903 2.402 . . . . 0.0 113.466 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.55 HD23 HG12 ' A' ' 45' ' ' ILE . 33.7 tp -48.83 -30.07 5.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.775 0.321 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' SG ' HG21 ' A' ' 41' ' ' ILE . 36.4 t -74.56 -41.4 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.03 -40.29 97.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -66.85 -58.86 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -49.81 -38.86 36.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG11 ' A' ' 37' ' ' VAL . 68.4 ttt180 -64.4 -41.54 96.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.69 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.51 -37.04 72.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 25.8 m-80 -94.78 89.57 5.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.37 98.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.868 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.4 mm -128.02 140.76 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.012 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 67' ' ' GLY . 13.8 p -98.65 163.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.548 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.08 -28.19 60.84 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.58 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -77.53 -16.68 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.771 0.319 . . . . 0.0 111.274 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.72 10.81 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.759 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD21 HG11 ' A' ' 40' ' ' VAL . 67.3 mt -74.37 -50.35 4.85 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 86.6 Cg_endo -78.23 -8.68 16.4 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.097 1.865 . . . . 0.0 112.187 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.01 -24.36 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.919 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 77' ' ' ASP . 63.0 mt -91.38 144.78 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.77 -172.77 4.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.654 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.95 -14.35 61.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -73.71 -49.74 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 12.2 m-20 -62.35 -36.9 83.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.766 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 m -68.97 -34.95 76.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.14 -40.5 97.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.307 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.33 -31.76 73.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.18 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.47 -13.07 60.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 73.9 m -99.86 -175.45 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.698 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.45 -20.56 54.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.078 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.8 -0.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.602 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.36 123.58 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.323 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.16 -47.85 69.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -51.72 -33.37 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -61.0 -50.18 74.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.52 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -64.74 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.32 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 87' ' ' ASN . 72.3 mt -60.59 -57.64 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 94' ' ' ILE . 23.0 mmtm -57.96 -35.42 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 48' ' ' LEU . 72.2 t80 -57.13 -61.01 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.565 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.94 -28.81 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 91' ' ' LYS . 59.5 mt -66.25 -67.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.684 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 47' ' ' THR . 76.0 mt -45.94 -33.49 3.33 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -72.66 -40.15 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.387 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.34 -39.62 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.787 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -68.68 -41.16 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.78 -40.08 87.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.31 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 100' ' ' ARG . 23.4 ttt180 -68.77 -60.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.06 -10.86 24.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.9 m 66.96 153.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -95.62 105.18 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.5 mm? -103.78 -80.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -147.66 52.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -121.76 12.94 10.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -106.4 101.24 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m 58.43 95.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -103.76 -10.0 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -111.94 113.23 25.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -77.06 -13.65 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.37 137.71 24.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -101.6 -56.46 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.58 137.22 58.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.997 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -89.1 -7.32 56.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.7 p -68.84 -25.13 64.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.437 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.4 7.03 42.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.42 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -64.89 141.24 58.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 111.315 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.1 t -104.13 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.427 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.91 -55.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -28.17 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.56 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -74.77 -42.92 57.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.547 -179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.44 -38.49 74.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.34 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.01 -51.71 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.316 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.4 m -56.96 -54.55 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -58.26 -45.37 87.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.67 0.271 . . . . 0.0 111.143 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.6 t -54.63 -71.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.582 HG12 HD23 ' A' ' 56' ' ' LEU . 63.4 mt -49.97 -33.48 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.833 -179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.9 t -55.03 -28.96 56.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.156 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.622 HG23 HD13 ' A' ' 95' ' ' LEU . 6.8 t -145.1 15.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -77.48 -71.41 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.853 -179.512 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -144.11 -60.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.511 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.2 m -111.07 -163.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.824 -178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.3 pt-20 -99.29 -175.51 3.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.377 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -75.27 73.96 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.19 0.519 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.41 HG23 ' HG3' ' A' ' 51' ' ' GLU . 67.5 p -143.1 -44.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 19.3 t70 -62.1 144.51 94.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.019 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 32.3 Cg_exo -59.25 0.69 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.032 2.488 . . . . 0.0 113.453 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 45' ' ' ILE . 29.5 tp -47.73 -34.0 7.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.1 p -65.81 -37.35 86.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -64.76 -48.34 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -58.42 -37.12 74.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.978 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.7 mt -76.19 -32.61 59.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.041 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.96 -41.14 91.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.49 -59.65 5.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 65' ' ' ILE . 37.3 m-80 -82.84 92.15 7.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.409 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.21 92.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 63' ' ' ASN . 49.0 mm -99.67 137.26 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.959 0.409 . . . . 0.0 111.161 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 67' ' ' GLY . 10.9 p -109.02 163.6 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.376 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.12 -32.8 72.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.7 -13.01 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.1 tp -101.39 -17.89 16.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.452 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB3' HG21 ' A' ' 96' ' ' ILE . 62.9 mt -58.74 -50.57 87.3 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.904 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 72.2 Cg_endo -75.8 -20.28 15.47 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.134 1.889 . . . . 0.0 112.768 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.96 0.56 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.172 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.3 mt -114.22 172.79 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.4 m -127.97 -170.24 2.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.59 -11.74 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.44 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -68.32 -33.54 74.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.753 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.24 -41.62 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.572 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 35.2 tt0 -69.44 -34.59 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.253 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.68 -22.36 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.433 179.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -20.77 63.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 43.5 t -107.35 165.43 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.56 -16.39 47.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.56 4.76 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.683 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.39 117.0 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 110.8 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.55 -46.38 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.388 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -50.79 -34.96 29.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.425 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -65.87 -49.2 68.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 79' ' ' GLN . . . -64.91 -35.82 82.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.715 -179.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.68 -59.53 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.241 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -58.73 -28.55 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.535 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.5 t80 -63.66 -61.64 2.18 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 179.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.86 -25.67 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 43.4 mt -68.77 -66.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.431 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.622 HD13 HG23 ' A' ' 47' ' ' THR . 85.4 mt -47.94 -30.42 4.21 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.871 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 70' ' ' LEU . 84.6 mt -77.23 -39.19 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.399 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -66.45 -45.89 78.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -63.89 -53.48 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -57.25 -35.05 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -61.91 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.39 -66.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 159.17 15.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' A' ' 106' ' ' TRP . 46.6 tptt -144.76 31.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -172.56 -43.95 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.68 36.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.494 ' HE1' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -102.36 17.91 22.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.223 179.752 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -106.54 88.74 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.96 179.896 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 m -101.03 179.83 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -138.42 -38.67 0.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.7 mtp -112.24 -40.51 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.49 176.56 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.0 98.79 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.803 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.81 -40.99 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -51.3 124.27 11.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.254 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.01 -7.09 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -59.02 -19.65 45.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -99.62 -24.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -69.05 104.28 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.222 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 m -100.53 -171.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.35 -51.59 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.292 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.34 -30.79 68.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.471 -179.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.0 -51.85 16.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.603 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.52 -36.25 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.477 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.56 -57.35 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 m -48.56 -39.67 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.444 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -75.57 -38.96 58.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 48' ' ' LEU . 53.1 t -66.93 -12.26 58.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.634 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.576 HD11 ' HB3' ' A' ' 57' ' ' CYS . 62.9 mt -110.0 -17.25 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.9 t -65.76 -72.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.968 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 HD13 ' A' ' 95' ' ' LEU . 9.7 t -124.07 7.19 8.56 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -64.91 -69.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.0 -179.402 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG13 ' A' ' 50' ' ' VAL . 9.7 tp10 -142.88 -83.54 0.17 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 49' ' ' GLU . 15.5 m -98.45 -172.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.534 -178.023 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.84 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.629 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -78.02 74.32 4.57 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.031 0.443 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.4 p -142.59 -47.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.84 142.7 77.06 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.77 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.54 0.28 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.802 2.335 . . . . 0.0 113.228 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -48.29 -37.83 17.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.433 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' HB3' HD11 ' A' ' 45' ' ' ILE . 28.3 p -67.25 -37.66 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.199 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -69.91 -41.71 74.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.87 -38.98 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -80.35 -25.29 39.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -69.61 -47.91 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.96 -50.05 67.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 65' ' ' ILE . 48.5 m-20 -78.75 89.96 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.76 95.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 63' ' ' ASN . 47.1 mm -128.34 105.5 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 69' ' ' LEU . 27.2 m -71.11 174.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.77 -17.32 76.65 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.935 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.97 -6.46 52.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD13 ' CG2' ' A' ' 66' ' ' VAL . 4.6 mp -103.94 -13.92 16.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 83.8 mt -58.69 -50.46 87.88 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.0 Cg_endo -83.23 -1.74 10.41 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.253 1.968 . . . . 0.0 112.468 179.738 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -107.64 18.52 21.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.378 -179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.27 158.98 40.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 111.26 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.1 t -82.97 166.05 19.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.06 -27.54 69.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.68 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -54.62 -34.14 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 89' ' ' ALA . 19.8 t -71.42 -46.3 60.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.737 179.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.46 -32.45 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.018 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.51 -41.81 75.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.737 178.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.25 -16.01 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.729 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 m -105.73 -177.29 3.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -86.12 -16.47 37.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.38 -3.9 1.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.623 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.44 114.74 9.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.823 0.344 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -69.05 -47.66 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.764 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' ILE . 11.8 t-20 -50.23 -42.65 52.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.17 0.51 . . . . 0.0 110.383 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HD3' ' HG2' ' A' ' 49' ' ' GLU . 24.4 tptp -56.32 -47.33 78.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.932 179.643 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . . . -65.04 -24.86 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.454 -179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 87' ' ' ASN . 76.7 mt -67.45 -57.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -57.24 -30.26 64.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.056 0.455 . . . . 0.0 110.275 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -61.89 -65.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.555 179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 96' ' ' ILE . 65.7 tttm -57.53 -24.38 55.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 95' ' ' LEU . 37.5 mt -67.65 -67.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD13 HG23 ' A' ' 47' ' ' THR . 58.4 mt -49.93 -27.34 5.16 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.545 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 93' ' ' LYS . 71.2 mt -75.22 -39.4 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.03 179.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -54.75 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.25 -45.18 88.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -63.88 -32.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -67.79 -34.53 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.281 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 102' ' ' SER . 16.3 t70 -76.81 -72.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.061 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 43.2 t 172.65 140.78 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 9.5 mtmp? 63.03 139.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.73 179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.6 mm? -100.36 -76.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.609 179.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -160.32 62.4 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.38 11.02 21.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -135.95 98.34 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.1 p -93.9 146.34 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -161.16 -39.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.468 ' HG3' HD22 ' A' ' 28' ' ' ASN . 49.7 tpp -136.26 -54.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.017 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.468 HD22 ' HG3' ' A' ' 27' ' ' MET . 8.1 p30 -153.14 145.39 23.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.31 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -159.79 32.56 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.384 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -104.66 -35.62 7.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -46.85 106.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.308 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 11.4 p90 -87.36 -6.56 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -64.82 -15.35 61.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -101.94 -17.03 16.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -59.71 140.24 56.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.4 p -116.84 -173.07 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.618 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.07 -35.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -73.31 -49.36 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -61.41 -42.25 98.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.871 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' SER . 98.9 t -67.71 -51.31 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.79 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -60.98 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.869 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.1 m -47.29 -51.38 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.661 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -63.96 -39.63 94.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.661 0.267 . . . . 0.0 110.835 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 42.1 t -55.27 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 HD23 ' A' ' 56' ' ' LEU . 91.1 mt -50.82 -44.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.648 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 t -57.45 -18.64 19.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.945 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.8 p -139.31 15.76 2.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -91.45 -71.7 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.956 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG2' ' NZ ' ' A' ' 88' ' ' LYS . 10.8 tp10 -144.56 -61.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.075 0.464 . . . . 0.0 111.811 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.88 -164.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -178.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.55 -174.93 2.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.28 73.83 2.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.064 0.459 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -143.19 -49.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.293 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -60.07 142.31 89.45 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.47 0.41 0.77 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.969 2.446 . . . . 0.0 113.707 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD23 HG12 ' A' ' 45' ' ' ILE . 41.2 tp -46.92 -33.17 4.36 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 111.339 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB3' HD11 ' A' ' 45' ' ' ILE . 25.1 p -67.7 -41.54 83.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.034 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.52 -42.98 97.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.178 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -63.21 -40.46 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.88 -15.0 55.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -75.22 -47.46 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.252 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.78 -63.01 1.26 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.497 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' ILE . 42.6 m-80 -78.95 91.46 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.045 179.036 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.0 93.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 63' ' ' ASN . 50.6 mm -100.1 115.33 41.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.4 p -81.42 165.3 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 32' ' ' PHE . . . -57.78 -34.87 72.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.236 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.44 -12.5 59.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 66' ' ' VAL . 35.4 tp -99.79 -11.59 20.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.001 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 79.9 mt -62.21 -48.09 88.56 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.487 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 96.8 Cg_endo -83.94 -2.49 10.24 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.268 1.979 . . . . 0.0 112.774 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' HD12 ' A' ' 69' ' ' LEU . 12.0 mm-40 -89.92 3.73 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.588 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pp -121.34 144.25 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.8 m -82.54 -172.79 4.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HA ' ' SG ' ' A' ' 78' ' ' CYS . 4.3 mm? -74.89 -18.23 60.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.32 -39.24 92.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.34 -60.9 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.56 ' SG ' ' HB1' ' A' ' 89' ' ' ALA . 29.1 p -52.07 -44.83 64.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -55.67 -42.92 75.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.522 179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.67 -25.18 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.588 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 78' ' ' CYS . 68.1 mt -81.97 -13.11 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 83.7 m -99.28 172.4 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.32 -19.41 65.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.83 -20.76 3.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.62 111.18 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 110.672 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.07 -43.37 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.226 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 90' ' ' ILE . 43.1 m-80 -50.83 -44.46 59.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' NZ ' ' HG2' ' A' ' 49' ' ' GLU . 7.4 tptt -58.57 -40.72 83.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB1' ' SG ' ' A' ' 78' ' ' CYS . . . -67.33 -36.52 81.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.444 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 87' ' ' ASN . 79.3 mt -59.48 -50.21 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -61.35 -36.71 80.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 96' ' ' ILE . 37.6 t80 -58.12 -61.0 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.974 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.1 -38.83 71.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.202 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt -58.94 -65.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.657 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.5 mt -45.5 -32.96 2.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.067 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 92' ' ' PHE . 78.1 mt -72.84 -40.77 60.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.648 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -61.19 -46.85 88.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -59.49 -51.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -59.92 -30.94 69.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.724 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.96 -51.46 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.81 -71.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.6 m -164.27 175.27 10.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -106.65 105.53 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.758 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.41 -53.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.674 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.82 96.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.453 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.64 14.01 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.248 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -131.47 107.73 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.939 179.929 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 m -151.91 166.43 31.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 57.92 97.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -123.59 172.28 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.017 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -134.79 -56.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.758 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -146.3 159.74 42.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -116.25 -39.72 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -71.25 158.44 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.748 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 46.7 p90 -82.29 -6.83 59.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -62.34 -16.27 53.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -140.12 30.46 2.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.703 0.287 . . . . 0.0 111.406 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 32' ' ' PHE . 5.3 m0 -71.81 177.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.8 t -120.04 175.8 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.5 t -57.99 -45.2 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.284 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -31.24 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.419 -179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.49 -38.61 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.381 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.85 -39.3 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.301 -179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' SG ' ' A' ' 57' ' ' CYS . 97.3 mt -64.51 -54.35 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.443 -179.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -57.41 -54.27 48.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.628 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -56.13 -48.05 76.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.232 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 35.6 t -54.61 -66.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.6 mt -53.52 -30.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.739 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.0 t -62.76 -12.54 24.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -159.83 21.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -88.95 -71.8 0.58 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.046 -179.756 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -144.61 -60.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.403 . . . . 0.0 111.887 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.11 -163.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.127 -178.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -99.71 -172.83 2.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -78.02 73.88 4.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.134 0.492 . . . . 0.0 110.768 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.7 p -142.73 -48.77 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.148 179.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' LEU . 17.8 t70 -58.18 144.75 75.98 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.628 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.3 -0.52 0.33 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.766 2.311 . . . . 0.0 113.32 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' ASP . 20.9 tp -53.05 -26.26 15.3 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.907 0.384 . . . . 0.0 110.677 179.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' HG21 ' A' ' 41' ' ' ILE . 33.0 t -75.52 -44.4 43.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HG3' HH21 ' A' ' 61' ' ' ARG . 35.9 tt0 -58.13 -40.15 80.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.56 -57.27 7.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.42 -22.43 54.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 HH21 ' HG3' ' A' ' 58' ' ' GLN . 33.3 ttp180 -73.73 -50.84 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.1 -60.09 4.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 m-80 -82.13 88.17 6.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -57.0 106.11 0.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.521 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.3 mm -104.11 105.97 19.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.282 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 67' ' ' GLY . 12.2 p -73.47 164.2 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.303 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -58.87 -34.17 76.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -77.05 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 65' ' ' ILE . 56.9 tp -99.41 -15.01 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.623 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 77.3 mt -58.43 -52.74 72.44 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.49 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 63.3 Cg_endo -92.05 -3.44 3.99 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.494 2.129 . . . . 0.0 112.773 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.17 -30.29 43.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.307 -179.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 73' ' ' LEU . 1.9 pp -84.26 -169.85 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.416 ' HB2' ' HG3' ' A' ' 76' ' ' GLN . 82.0 m -120.87 -177.55 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.38 -24.24 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -67.03 -35.97 81.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.77 -50.12 53.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 110.371 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.518 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 29.3 m -59.11 -37.29 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.725 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.44 -41.14 98.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.331 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.61 -30.16 71.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.082 179.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.795 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 52.4 t -102.39 163.16 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.574 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.29 -25.99 64.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.78 26.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.718 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -107.82 127.11 53.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 90' ' ' ILE . 35.6 tp -72.98 -47.4 45.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.541 ' HA ' HD12 ' A' ' 90' ' ' ILE . 35.0 m-80 -53.56 -24.36 13.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -69.98 -51.74 30.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.424 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 78' ' ' CYS . . . -65.66 -26.7 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 87' ' ' ASN . 84.6 mt -65.15 -58.69 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.887 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -55.88 -35.44 66.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.98 0.419 . . . . 0.0 110.515 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 48' ' ' LEU . 59.8 t80 -60.67 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -58.35 -27.04 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.341 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 95' ' ' LEU . 41.6 mt -68.07 -67.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.542 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.8 mt -46.47 -34.3 4.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 70' ' ' LEU . 63.4 mt -76.6 -39.87 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.787 -179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.32 -52.83 51.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.221 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -62.44 -39.06 92.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.367 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.01 -43.94 86.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -67.37 -58.26 5.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.51 -71.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.364 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -65.94 140.32 58.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 111.376 -179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -155.73 22.76 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 106' ' ' TRP . 9.8 tp -97.74 -30.37 12.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.353 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.96 87.58 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.362 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.404 ' CZ3' ' HA ' ' A' ' 104' ' ' LEU . 1.3 p90 -121.32 16.14 11.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -104.61 101.22 10.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.648 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.91 -179.845 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.1 p -65.94 120.32 12.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -123.73 119.64 30.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -120.22 165.57 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -88.74 111.92 22.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -106.38 94.28 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -114.89 -22.73 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -85.32 127.22 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.772 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -86.88 -6.73 58.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.1 m -68.23 -14.96 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.538 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.29 10.26 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.622 0.249 . . . . 0.0 111.527 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -63.75 149.92 45.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.936 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 40' ' ' VAL . 35.8 t -100.66 176.16 5.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.7 t -57.42 -39.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.33 -44.98 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.423 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.82 -45.02 94.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.383 -179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -62.93 -55.33 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.545 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.4 mt -57.48 -58.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.865 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -43.93 -49.93 8.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.653 -179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -75.25 -27.54 59.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.993 0.425 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.71 -12.13 61.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.393 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.64 HG12 HD22 ' A' ' 56' ' ' LEU . 67.9 mt -106.14 -66.02 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.404 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -48.74 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.2 p -71.98 -2.55 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -177.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.37 -70.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.188 -0.605 . . . . 0.0 112.584 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -141.9 -83.46 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.33 -171.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.546 -178.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' HG22 ' A' ' 53' ' ' THR . 7.5 pt-20 -100.2 -175.1 2.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.4 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.08 74.72 4.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.097 0.475 . . . . 0.0 110.776 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 51' ' ' GLU . 7.3 t -142.28 -37.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.602 179.363 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 22.4 t70 -70.66 145.11 92.0 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.794 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 38.4 Cg_exo -58.74 -0.33 0.52 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.911 2.407 . . . . 0.0 113.592 -179.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 45' ' ' ILE . 6.5 tt -53.87 -31.71 50.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.687 0.28 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.2 -42.63 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -59.66 -51.23 70.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -55.91 -39.49 71.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.07 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.472 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.539 ' O ' HG12 ' A' ' 65' ' ' ILE . 86.8 m-20 -88.41 90.78 8.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.205 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.78 104.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.571 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 63' ' ' ASN . 43.0 mm -102.51 119.63 51.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.799 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 67' ' ' GLY . 11.0 p -94.31 164.66 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.445 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' HG22 ' A' ' 66' ' ' VAL . . . -59.55 -36.62 90.12 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.39 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -76.65 -1.86 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HG12 ' A' ' 66' ' ' VAL . 40.9 tp -108.71 -1.21 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.79 -179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' PRO . 94.8 mt -74.53 -51.4 4.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.77 -179.77 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 70' ' ' LEU . 86.1 Cg_endo -82.08 -4.23 11.84 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.239 1.959 . . . . 0.0 112.955 -179.624 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -89.86 -25.98 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.303 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -83.53 152.09 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.7 m -99.33 179.94 4.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.17 -21.85 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.65 -56.9 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.33 -44.94 95.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 66.1 m -58.16 -35.58 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -65.76 -41.54 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.6 -30.63 71.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.083 179.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.9 -16.77 64.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.38 163.23 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.491 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.04 -28.61 64.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.37 35.81 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.12 121.31 41.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -65.71 -47.41 75.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 90' ' ' ILE . 27.7 t-20 -53.71 -26.49 23.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' NZ ' HD23 ' A' ' 48' ' ' LEU . 5.9 tmtt? -69.01 -54.84 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.91 62.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.267 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 87' ' ' ASN . 78.7 mt -71.96 -55.1 14.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.52 -19.42 48.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.111 0.481 . . . . 0.0 110.193 179.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 48' ' ' LEU . 40.1 t80 -73.13 -66.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.614 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.85 -30.53 65.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.167 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' LEU . 26.8 mt -65.56 -66.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.653 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.567 HD12 HD12 ' A' ' 48' ' ' LEU . 95.2 mt -50.9 -26.52 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 70' ' ' LEU . 96.7 mt -75.08 -38.63 42.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -65.43 -44.99 85.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.546 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -58.82 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 58.0 tpp -66.16 -26.96 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.608 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -66.93 -45.75 76.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.2 -71.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 t -178.57 163.01 1.47 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -170.15 86.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.1 mm? -115.79 -64.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.557 179.537 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -138.65 32.33 2.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.223 0.535 . . . . 0.0 110.485 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -140.42 67.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -100.67 99.36 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.858 -179.961 . . . . . . . . 0 0 . 1 stop_ save_