data_2ch0_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 2ch0 _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 ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.411 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 9.1 m170 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.472 ' SG ' ' CD1' ' A' ' 98' ' ' TRP . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.623 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.623 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HE2' ' HZ2' ' A' ' 65' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HZ2' ' HE2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.481 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.472 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.372 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 . . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 0.0 OUTLIER -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 51' ' ' ARG 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 48' ' ' PRO 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.618 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.618 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 51' ' ' ARG 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.405 ' CE2' HG21 ' A' ' 71' ' ' VAL . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.405 HG21 ' CE2' ' A' ' 67' ' ' TRP . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.521 ' CG ' HG11 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 . . . . . 0 N--CA 1.471 0.609 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 . . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.517 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 HG21 ' HD1' ' A' ' 49' ' ' HIS . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.477 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 98' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD12 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 51' ' ' ARG 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.619 HH21 HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD12 ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.779 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.779 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? . . . . . 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' HIS . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.547 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.419 ' HG1' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 ' CD1' ' HG1' ' A' ' 85' ' ' THR . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 54' ' ' LEU 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.656 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.658 ' CE1' HG13 ' A' ' 50' ' ' VAL . 5.1 p80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' CE1' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 24' ' ' ILE 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.434 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HZ2' ' HA ' ' A' ' 20' ' ' MET . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.436 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.672 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 3.7 p80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 49' ' ' HIS 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HZ2' ' HA ' ' A' ' 62' ' ' LYS . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CH2' HG22 ' A' ' 24' ' ' ILE . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 98' ' ' TRP 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.464 ' HE3' ' CD2' ' A' ' 49' ' ' HIS . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.491 ' CD2' HG21 ' A' ' 81' ' ' VAL . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? . . . . . 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 . . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.655 ' CE1' ' HB2' ' A' ' 42' ' ' GLN . 21.0 t60 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 31' ' ' HIS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.655 ' HB2' ' CE1' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HE1' ' CD2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.539 HG13 ' CD2' ' A' ' 49' ' ' HIS 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' HA ' ' A' ' 48' ' ' PRO 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.634 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.458 ' CH2' HG22 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.409 ' CZ2' ' ND2' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.44 HD11 ' CD2' ' A' ' 67' ' ' TRP 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 49' ' ' HIS . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.421 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.437 ' CD2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' HD23 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 71' ' ' VAL . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 67' ' ' TRP . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.405 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 . . . . . 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 23' ' ' LYS 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 42' ' ' GLN . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' H ' ' ND2' ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 61' ' ' LYS 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 64' ' ' LYS 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.462 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 42' ' ' GLN 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.418 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.463 HD13 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HD1' HG11 ' A' ' 50' ' ' VAL . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG11 ' HD1' ' A' ' 49' ' ' HIS 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD22 ' H ' ' A' ' 63' ' ' MET 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.521 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.521 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.513 ' H ' HD22 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.489 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HE3' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 16.3 m170 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.424 ' HB3' ' HD2' ' A' ' 64' ' ' LYS 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.528 ' HD1' ' CG2' ' A' ' 50' ' ' VAL 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.528 ' CG2' ' HD1' ' A' ' 49' ' ' HIS 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 48' ' ' PRO . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 . . . . . 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' A' ' 50' ' ' VAL 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HE1' ' CD1' ' A' ' 98' ' ' TRP . 8.4 p80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' CG1' ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.489 ' HE ' ' HB2' ' A' ' 61' ' ' LYS 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.66 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 54' ' ' LEU . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 98' ' ' TRP 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 31' ' ' HIS 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.429 HG13 ' CZ3' ' A' ' 98' ' ' TRP . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 1.3 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.644 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HA ' HD13 ' A' ' 54' ' ' LEU . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.505 ' HA ' ' CE3' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CE3' ' HA ' ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 67' ' ' TRP 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HA ' HE21 ' A' ' 100' ' ' GLN 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 35' ' ' CYS . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.744 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.744 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.452 ' CD2' HD11 ' A' ' 24' ' ' ILE . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 73' ' ' PHE 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 67' ' ' TRP . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.454 ' CG1' ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.454 ' CE3' ' CG1' ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 36' ' ' GLN . 4.6 mm100 . . . . . 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.57 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 31' ' ' HIS 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HG ' ' HB3' ' A' ' 100' ' ' GLN . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HZ1' ' HG3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CB ' ' CZ3' ' A' ' 98' ' ' TRP 0.589 0.3 OUTLIER -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HG3' ' HZ1' ' A' ' 39' ' ' LYS . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' HD1' HG21 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 HG21 ' HD1' ' A' ' 49' ' ' HIS 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 96' ' ' TRP . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 120.523 3.527 . . . . 0.0 120.523 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 47.2 m-80 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' H ' ' A' ' 37' ' ' GLU 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 35' ' ' CYS . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 51' ' ' ARG 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 48' ' ' PRO 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CZ2' HG22 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 28' ' ' LEU 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.406 ' CE3' HG12 ' A' ' 99' ' ' ILE 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.406 HG12 ' CE3' ' A' ' 98' ' ' TRP 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.428 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? . . . . . 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 48' ' ' PRO . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.407 ' CE2' HG21 ' A' ' 71' ' ' VAL . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 67' ' ' TRP . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD2' HG21 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.5 HG22 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HB3' ' HA ' ' A' ' 48' ' ' PRO 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.74 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' HG11 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -154.76 145.55 16.25 Favored Pre-proline 0 C--N 1.35 0.62 0 C-N-CA 126.161 1.785 . . . . 0.0 106.76 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.91 173.87 13.39 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.606 3.537 . . . . 0.0 112.081 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -87.36 -31.06 20.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 126.741 2.016 . . . . 0.0 115.464 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.341 24.7 t80 83.17 -63.08 0.11 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.592 2.757 . . . . 0.0 111.988 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 61.57 89.21 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 131.668 3.987 . . . . 0.0 116.529 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -126.63 -155.26 0.68 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.922 2.089 . . . . 0.0 108.883 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -73.82 -36.37 64.96 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 119.001 -2.312 . . . . 0.0 116.588 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.383 38.4 mtpt -72.43 -29.26 63.55 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 118.283 2.697 . . . . 0.0 118.283 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -55.86 -17.29 6.0 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.29 -31.3 70.65 Favored 'General case' 0 C--N 1.365 1.273 1 C-N-CA 133.246 4.618 . . . . 0.0 113.108 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.01 -32.33 73.49 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.484 1.914 . . . . 0.0 113.328 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -66.48 -46.23 77.0 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.473 2.309 . . . . 0.0 114.367 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 p -75.79 -29.35 58.71 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.741 3.616 . . . . 0.0 113.85 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -64.63 103.15 0.64 Allowed 'General case' 0 CA--C 1.558 1.287 0 O-C-N 119.287 -2.133 . . . . 0.0 116.656 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 133.68 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.371 1.529 1 C-N-CA 132.159 4.184 . . . . 0.0 107.301 -177.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.278 20.2 mtm -69.83 -32.83 71.46 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 130.08 3.352 . . . . 0.0 115.598 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -51.68 -17.01 0.75 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.411 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 9.1 m170 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.472 ' SG ' ' CD1' ' A' ' 98' ' ' TRP . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.623 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.623 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HE2' ' HZ2' ' A' ' 65' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HZ2' ' HE2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.481 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.472 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.29 107.12 30.16 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -70.18 144.51 51.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 124.421 3.414 . . . . 0.0 114.743 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.317 53.8 p 82.04 161.48 0.14 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.653 1.981 . . . . 0.0 114.588 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . 0.264 . . 60.72 -35.0 0.08 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.979 3.326 . . . . 0.0 119.979 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.5 m -91.1 -44.25 9.39 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 111.324 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.79 82.58 8.37 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.126 2.171 . . . . 0.0 111.972 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -132.58 140.33 48.21 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -156.76 167.53 30.17 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.3 mm -120.65 137.38 54.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 C-N-CA 127.049 2.139 . . . . 0.0 106.185 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -153.53 0.44 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.712 2.005 . . . . 0.0 110.931 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.88 -34.76 72.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.492 1.917 . . . . 0.0 116.144 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.7 tp -113.26 102.22 54.51 Favored Pre-proline 0 C--N 1.355 0.812 0 C-N-CA 126.026 1.73 . . . . 0.0 108.181 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.98 85.24 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.035 1 C-N-CA 126.068 4.512 . . . . 0.0 113.811 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 m -91.1 69.19 6.18 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.664 2.386 . . . . 0.0 113.035 -171.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.32 168.76 26.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.47 1.508 . . . . 0.0 108.507 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.3 p -120.28 149.28 23.06 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 126.25 1.82 . . . . 0.0 106.531 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -12.62 -66.01 0.01 OUTLIER 'General case' 0 C--N 1.366 1.291 1 C-N-CA 133.852 4.861 . . . . 0.0 121.263 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -134.84 143.36 46.98 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.758 -1.214 . . . . 0.0 108.875 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.69 -58.31 0.31 Allowed Glycine 0 C--N 1.351 1.397 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -81.74 -94.99 0.05 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 127.296 2.238 . . . . 0.0 114.456 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.62 -121.76 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.805 1.242 . . . . 0.0 113.702 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -144.17 170.03 16.74 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.854 2.061 . . . . 0.0 105.693 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -144.85 132.49 21.0 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 tp 75.79 -60.06 0.5 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.3 2.64 . . . . 0.0 113.607 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.23 135.8 33.17 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.847 2.459 . . . . 0.0 110.319 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 71.8 66.1 0.14 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 126.735 2.014 . . . . 0.0 113.989 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.65 72.89 5.19 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.835 1.654 . . . . 0.0 114.924 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.0 -161.77 0.85 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.158 2.583 . . . . 0.0 107.027 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -108.61 172.2 6.98 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -56.36 30.75 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 128.165 2.586 . . . . 0.0 115.18 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.98 149.62 37.03 Favored 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 124.257 3.305 . . . . 0.0 110.831 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -131.49 -175.04 3.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.909 -1.745 . . . . 0.0 109.005 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.5 63.11 0.16 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.745 2.418 . . . . 0.0 117.481 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 . . . . . 0 C--N 1.361 1.08 0 C-N-CA 130.043 3.337 . . . . 0.0 112.299 -179.26 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.199 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -154.58 143.58 14.89 Favored Pre-proline 0 C--N 1.349 0.573 0 C-N-CA 126.32 1.848 . . . . 0.0 106.781 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.06 177.53 8.56 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.473 3.448 . . . . 0.0 111.749 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -102.28 165.27 11.22 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.773 1.273 . . . . 0.0 111.964 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -90.31 79.55 6.32 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.028 1.731 . . . . 0.0 106.616 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -96.05 44.94 1.07 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.367 1.867 . . . . 0.0 115.857 -168.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -95.51 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 132.974 4.51 . . . . 0.0 116.553 178.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -80.85 -13.01 59.32 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.034 2.934 . . . . 0.0 110.912 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.27 -26.14 67.96 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.994 3.318 . . . . 0.0 112.343 169.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.19 -14.28 1.08 Allowed 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.567 2.347 . . . . 0.0 116.196 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 131.187 3.795 . . . . 0.0 113.49 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.77 -35.87 62.56 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 126.488 1.915 . . . . 0.0 111.924 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -70.33 -31.78 69.22 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.235 2.614 . . . . 0.0 117.087 173.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.382 1.4 p -79.5 -52.98 7.33 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -172.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 22.27 -126.45 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.365 1 N-CA-C 121.892 4.034 . . . . 0.0 121.892 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.14 23.66 1.05 Allowed 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 117.629 -3.169 . . . . 0.0 110.006 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.69 4.33 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -177.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER -76.8 -62.73 1.54 Allowed 'General case' 0 C--N 1.362 1.127 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 -170.614 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 0.0 OUTLIER -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 51' ' ' ARG 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' ' HA ' ' A' ' 48' ' ' PRO 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.618 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.618 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 51' ' ' ARG 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.405 ' CE2' HG21 ' A' ' 71' ' ' VAL . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.405 HG21 ' CE2' ' A' ' 67' ' ' TRP . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.521 ' CG ' HG11 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 98.83 4.64 Favored Pre-proline 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -68.73 129.69 19.19 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 124.219 3.279 . . . . 0.0 116.146 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t 63.21 30.27 15.9 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.744 2.018 . . . . 0.0 115.153 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.57 -69.68 0.17 Allowed 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.351 2.66 . . . . 0.0 113.832 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 m -118.69 6.46 11.59 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 111.66 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.254 68.6 m 74.72 -62.36 0.46 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.461 2.304 . . . . 0.0 115.427 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -152.25 -38.95 0.11 Allowed 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.7 1.2 . . . . 0.0 111.974 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -104.06 119.96 40.06 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.028 1.331 . . . . 0.0 111.392 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.302 42.0 mm 85.82 137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.392 2.277 . . . . 0.0 110.881 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD22 ' H ' ' A' ' 109' ' ' LEU . 2.4 pt? -88.78 -169.18 2.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.668 1.587 . . . . 0.0 113.792 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.08 97.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 127.625 2.37 . . . . 0.0 108.191 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.67 113.13 61.78 Favored Pre-proline 0 C--N 1.357 0.934 0 CA-C-O 116.594 -1.67 . . . . 0.0 108.071 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.43 -80.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 124.003 3.135 . . . . 0.0 110.071 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.6 m 140.35 -49.98 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 131.226 3.81 . . . . 0.0 106.441 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -159.41 178.93 9.4 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 102.707 -3.072 . . . . 0.0 102.707 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.7 m -96.45 -18.95 6.33 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.794 1.637 . . . . 0.0 112.219 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 54.06 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.618 3.167 . . . . 0.0 117.486 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -120.18 8.22 10.89 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.407 2.283 . . . . 0.0 111.164 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.11 59.75 0.04 OUTLIER Glycine 0 C--N 1.366 2.248 0 N-CA-C 121.107 3.203 . . . . 0.0 121.107 -172.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -125.87 -12.96 6.45 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.439 -1.624 . . . . 0.0 114.339 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.25 52.97 0.18 Allowed 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.784 -1.822 . . . . 0.0 115.6 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -168.12 -52.37 0.02 OUTLIER 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.832 2.453 . . . . 0.0 108.685 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -102.85 120.8 41.25 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 120.05 -1.656 . . . . 0.0 111.719 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.268 78.7 mt 75.42 -51.09 0.65 Allowed 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.2 1.8 . . . . 0.0 114.869 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.51 47.68 0.13 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 127.421 2.289 . . . . 0.0 114.936 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -123.84 -42.62 2.17 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 129.061 2.944 . . . . 0.0 105.449 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 2.57 1.04 Allowed 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.423 -0.798 . . . . 0.0 112.798 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 67.5 mt -135.88 162.87 31.6 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 120.012 -1.68 . . . . 0.0 109.133 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . 0.279 52.4 mt-10 86.15 138.63 0.05 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.753 2.821 . . . . 0.0 113.953 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -112.76 -48.89 0.06 OUTLIER Pre-proline 0 C--N 1.36 1.064 0 CA-C-O 116.002 -1.951 . . . . 0.0 116.115 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.04 -30.53 1.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 0 CA-C-N 125.912 3.147 . . . . 0.0 114.402 -174.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 80.07 84.26 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 128.682 2.793 . . . . 0.0 114.351 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -151.57 138.5 19.02 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.646 -1.612 . . . . 0.0 106.646 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.358 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.316 -177.264 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.174 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -175.9 160.13 1.94 Allowed Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 127.426 2.29 . . . . 0.0 105.403 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -78.84 -152.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 125.035 3.823 . . . . 0.0 114.673 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.6 145.7 24.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.903 1.281 . . . . 0.0 112.898 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -125.42 45.34 2.61 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.956 1.302 . . . . 0.0 110.37 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.95 18.9 1.49 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.782 2.433 . . . . 0.0 114.456 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.38 176.5 6.54 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 131.277 3.831 . . . . 0.0 113.643 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -80.1 -19.32 47.68 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.771 2.028 . . . . 0.0 113.093 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.417 83.0 mttt -71.16 -27.43 63.54 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 118.81 2.893 . . . . 0.0 118.81 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.03 -27.52 45.09 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.56 -33.61 74.38 Favored 'General case' 0 C--N 1.36 1.05 1 C-N-CA 133.797 4.839 . . . . 0.0 113.518 171.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.42 -37.63 65.33 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 128.31 2.644 . . . . 0.0 114.098 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.88 -25.35 67.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 129.078 2.951 . . . . 0.0 117.127 167.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.528 16.3 p -79.34 -28.35 42.07 Favored 'General case' 0 C--N 1.363 1.172 1 N-CA-C 123.261 4.541 . . . . 0.0 123.261 -169.776 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.8 58.31 0.0 OUTLIER 'General case' 0 C--N 1.365 1.248 0 N-CA-C 120.256 3.428 . . . . 0.0 120.256 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.35 84.5 mm-40 57.5 -20.35 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 2 N-CA-C 123.078 4.473 . . . . 0.0 123.078 174.931 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.66 98.84 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 -175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 -75.75 -62.43 1.59 Allowed 'General case' 0 C--N 1.365 1.245 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 -168.667 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' HG3' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.517 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 HG21 ' HD1' ' A' ' 49' ' ' HIS . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.477 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 98' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.413 ' HB2' HG23 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -74.08 114.0 28.79 Favored Pre-proline 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -59.6 129.43 30.92 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.893 3.062 . . . . 0.0 117.098 -168.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.262 5.1 t 74.48 -1.47 3.07 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.698 1.999 . . . . 0.0 116.122 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 70.02 -43.93 0.55 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 129.377 3.071 . . . . 0.0 118.306 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.275 8.7 t 95.5 4.58 0.03 OUTLIER 'General case' 0 C--N 1.359 0.989 0 C-N-CA 129.271 3.028 . . . . 0.0 111.8 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.2 t 75.25 -52.78 0.66 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.185 2.594 . . . . 0.0 116.566 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.28 96.63 9.07 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.743 2.017 . . . . 0.0 112.102 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -159.05 -165.54 1.64 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 106.604 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.89 179.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 127.509 2.324 . . . . 0.0 105.152 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -168.29 1.66 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 110.869 177.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.266 4.3 p -79.45 4.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.238 0 N-CA-C 117.237 2.31 . . . . 0.0 117.237 -173.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.95 93.1 43.62 Favored Pre-proline 0 C--N 1.35 0.63 0 O-C-N 119.646 -1.909 . . . . 0.0 107.538 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.8 -25.25 6.49 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.329 3.353 . . . . 0.0 112.771 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.54 -56.52 0.51 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 128.787 2.835 . . . . 0.0 116.313 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -105.46 78.44 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.598 1.959 . . . . 0.0 109.645 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.21 -4.69 6.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 C-N-CA 126.008 1.723 . . . . 0.0 114.423 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -135.52 137.13 41.78 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -102.17 25.52 8.75 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 125.985 1.714 . . . . 0.0 111.352 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.37 -21.13 73.62 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 126.809 2.147 . . . . 0.0 114.752 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -85.66 -3.73 58.96 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 128.641 2.776 . . . . 0.0 113.734 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.71 71.57 1.36 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 120.326 -1.484 . . . . 0.0 113.009 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -97.85 26.44 5.15 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.196 1.398 . . . . 0.0 111.293 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.58 165.67 12.22 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.626 2.771 . . . . 0.0 104.542 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.15 -161.37 0.17 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 74.05 -55.99 0.65 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 128.816 2.846 . . . . 0.0 116.929 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -103.86 124.29 48.68 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 125.517 1.527 . . . . 0.0 112.366 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -87.98 29.99 0.88 Allowed 'General case' 0 C--N 1.363 1.19 0 C-N-CA 125.786 1.635 . . . . 0.0 114.466 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.36 79.61 1.77 Allowed 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.105 1.762 . . . . 0.0 107.57 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -123.29 42.28 3.25 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 69.53 55.91 0.53 Allowed Pre-proline 0 C--N 1.358 0.975 0 C-N-CA 130.097 3.359 . . . . 0.0 114.647 -175.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.17 59.13 3.63 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.092 3.195 . . . . 0.0 109.946 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -127.81 90.28 3.08 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.228 1.011 . . . . 0.0 109.507 -174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -147.11 145.73 29.7 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 125.216 1.407 . . . . 0.0 107.409 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.289 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -156.01 144.26 14.43 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.201 1.8 . . . . 0.0 106.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 175.06 11.07 Favored 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 124.429 3.419 . . . . 0.0 111.935 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -91.52 -22.9 20.13 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.239 1.815 . . . . 0.0 114.791 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.449 2.4 p90 61.77 16.24 7.7 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.545 3.538 . . . . 0.0 117.808 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -66.47 47.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.768 1 C-N-CA 131.784 4.034 . . . . 0.0 118.999 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -160.63 0.66 Allowed 'General case' 0 N--CA 1.432 -1.359 1 C-N-CA 133.303 4.641 . . . . 0.0 112.388 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.82 -57.97 10.4 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 131.269 3.828 . . . . 0.0 119.176 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.401 48.0 mttp -71.54 -29.03 64.3 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -176.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.23 -15.05 5.04 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.373 2.669 . . . . 0.0 115.503 174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.49 -28.98 70.03 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.312 3.045 . . . . 0.0 113.126 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.11 -34.97 66.48 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.971 -1.705 . . . . 0.0 112.48 175.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -73.16 -46.8 48.77 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 128.415 2.686 . . . . 0.0 115.397 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -78.75 -36.4 43.18 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.686 3.194 . . . . 0.0 115.0 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? 21.11 -63.53 0.0 OUTLIER 'General case' 0 C--N 1.361 1.074 2 C-N-CA 134.294 5.038 . . . . 0.0 121.862 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -83.81 1.51 42.69 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.806 1.643 . . . . 0.0 114.904 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.509 1.524 . . . . 0.0 112.197 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -63.03 -17.45 62.24 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.524 2.73 . . . . 0.0 115.515 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD12 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 51' ' ' ARG 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.619 HH21 HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD12 ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.779 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.779 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? -97.58 104.94 22.98 Favored Pre-proline 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -75.69 135.22 17.6 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 124.28 3.32 . . . . 0.0 113.085 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t 78.0 45.86 0.07 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.724 1.609 . . . . 0.0 114.982 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.26 -49.71 32.83 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.361 83.9 p 91.72 -112.62 0.0 OUTLIER 'General case' 0 C--N 1.368 1.385 0 C-N-CA 128.763 2.825 . . . . 0.0 113.571 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.15 -101.75 0.39 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.513 1.925 . . . . 0.0 108.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -169.66 150.63 4.09 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -126.03 40.59 3.7 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.105 . . . . 0.0 109.034 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.269 61.4 mt 84.56 98.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 128.215 2.606 . . . . 0.0 111.174 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.484 ' H ' ' CD1' ' A' ' 109' ' ' LEU 0.279 0.0 OUTLIER -58.82 43.9 0.0 OUTLIER 'General case' 0 C--N 1.361 1.082 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -176.07 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.347 10.0 t 70.09 80.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.038 0 C-N-CA 129.946 3.299 . . . . 0.0 115.084 175.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.4 mt -107.61 137.25 19.65 Favored Pre-proline 0 C--N 1.354 0.791 0 N-CA-C 103.31 -2.848 . . . . 0.0 103.31 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.72 -31.89 34.31 Favored 'Trans proline' 0 C--N 1.372 1.807 1 C-N-CA 126.286 4.657 . . . . 0.0 118.48 -169.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m 71.07 69.27 0.17 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.631 2.372 . . . . 0.0 114.928 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.95 88.84 5.89 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.728 2.011 . . . . 0.0 112.856 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.19 171.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -113.71 108.17 16.76 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 173.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -90.17 -22.53 21.67 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.136 1.375 . . . . 0.0 111.552 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.8 -46.78 1.12 Allowed Glycine 0 C--N 1.357 1.702 0 C-N-CA 126.216 1.865 . . . . 0.0 112.829 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -77.9 -10.26 59.48 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.003 2.121 . . . . 0.0 116.518 -176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 53.76 0.61 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -100.98 -58.18 1.94 Allowed 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.463 1.905 . . . . 0.0 107.574 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -122.82 18.7 10.22 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.304 1.442 . . . . 0.0 109.437 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 71.82 -59.9 0.54 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.207 3.003 . . . . 0.0 114.749 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 52.3 m-20 90.17 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 130.618 3.567 . . . . 0.0 107.932 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -166.13 105.14 0.66 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.4 ptt85 -61.75 40.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.087 0 C-N-CA 130.484 3.514 . . . . 0.0 119.804 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.5 pp -110.03 23.37 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 119.641 -1.912 . . . . 0.0 111.679 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -132.84 -66.95 0.65 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 128.282 2.633 . . . . 0.0 106.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -121.7 97.16 46.78 Favored Pre-proline 0 C--N 1.357 0.919 0 C-N-CA 124.929 1.292 . . . . 0.0 107.871 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -82.58 -82.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 124.518 3.479 . . . . 0.0 110.533 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -119.81 91.61 3.59 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.397 1.079 . . . . 0.0 108.114 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 74.63 -37.41 0.35 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.465 2.306 . . . . 0.0 117.11 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--N 1.363 1.184 0 C-N-CA 128.991 2.917 . . . . 0.0 114.797 178.291 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -172.41 154.16 3.08 Favored Pre-proline 0 C--N 1.345 0.378 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -78.64 161.53 27.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.329 3.352 . . . . 0.0 113.921 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 64.53 -53.95 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 129.222 3.009 . . . . 0.0 117.372 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.5 t80 79.03 66.68 0.03 OUTLIER 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.645 3.178 . . . . 0.0 108.772 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -92.15 29.53 1.62 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.74 2.416 . . . . 0.0 115.964 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -81.4 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 130.987 3.715 . . . . 0.0 117.9 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -99.67 -12.67 19.82 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 127.758 2.423 . . . . 0.0 109.146 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.292 99.4 mttt -49.22 -27.35 3.59 Favored 'General case' 0 C--N 1.369 1.433 0 N-CA-C 118.856 2.909 . . . . 0.0 118.856 -174.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.85 -14.72 2.57 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.265 2.226 . . . . 0.0 115.097 168.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -28.66 68.61 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 130.554 3.542 . . . . 0.0 112.468 166.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.34 -43.3 64.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 126.047 1.739 . . . . 0.0 112.192 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.2 -38.06 85.22 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 128.085 2.554 . . . . 0.0 116.135 171.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 16.4 p -79.13 -29.11 42.98 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 130.237 3.415 . . . . 0.0 115.313 174.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -40.84 127.17 2.57 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.946 3.698 . . . . 0.0 117.616 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.431 HE22 ' HB3' ' A' ' 20' ' ' MET . 1.1 tm0? 122.02 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 130.99 3.716 . . . . 0.0 105.596 -174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.8 ttm -49.93 -42.95 49.5 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.378 3.871 . . . . 0.0 113.588 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -66.86 -17.29 64.82 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 128.773 2.829 . . . . 0.0 113.666 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.431 ' HB3' HE22 ' A' ' 16' ' ' GLN 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 104' ' ' SER . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' HIS . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.547 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.419 ' HG1' ' CD1' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' CD1' ' HG1' ' A' ' 85' ' ' THR . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -146.85 153.37 46.05 Favored Pre-proline 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.34 158.59 54.35 Favored 'Trans proline' 0 C--N 1.378 2.128 1 C-N-CA 126.409 4.739 . . . . 0.0 117.846 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.306 5.6 t 84.56 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.759 2.424 . . . . 0.0 114.86 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -144.86 69.93 1.26 Allowed 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.369 -1.457 . . . . 0.0 112.975 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 38' ' ' ASN . 1.7 m -95.46 -136.22 0.22 Allowed 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.022 -1.049 . . . . 0.0 111.924 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.6 p -156.37 174.66 15.08 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 119.786 -1.822 . . . . 0.0 107.689 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.09 143.74 29.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.943 1.697 . . . . 0.0 106.773 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -113.98 -0.03 14.21 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.754 1.622 . . . . 0.0 112.762 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.335 46.9 mt 86.36 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 131.151 3.78 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.89 -58.32 3.35 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.257 45.7 t 85.88 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 130.191 3.396 . . . . 0.0 107.838 -169.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.522 HD11 ' H ' ' A' ' 111' ' ' ILE . 1.3 mp -65.64 120.81 71.52 Favored Pre-proline 0 C--N 1.367 1.328 0 C-N-CA 128.55 2.74 . . . . 0.0 114.642 -175.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.65 73.74 5.87 Favored 'Trans proline' 0 CA--C 1.552 1.386 0 C-N-CA 124.776 3.651 . . . . 0.0 113.557 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -157.64 -173.65 4.49 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.426 1.49 . . . . 0.0 107.027 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -136.91 -172.7 3.25 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.581 1.953 . . . . 0.0 107.569 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.98 170.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -155.87 -151.13 0.32 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -87.5 -29.67 21.19 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.816 2.446 . . . . 0.0 111.925 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.85 -142.38 11.83 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 104.469 -3.452 . . . . 0.0 104.469 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.27 141.82 48.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.183 2.593 . . . . 0.0 104.368 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.57 174.53 5.84 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.763 -1.211 . . . . 0.0 113.14 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -149.9 82.68 1.39 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.137 1.775 . . . . 0.0 106.995 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -130.45 71.77 1.47 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -95.43 57.81 1.99 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.697 1.999 . . . . 0.0 115.027 -171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -142.42 129.03 20.3 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -83.99 52.28 2.26 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -136.17 -79.45 0.41 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 127.366 2.267 . . . . 0.0 106.763 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.0 tp -95.54 128.1 42.12 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.98 1.712 . . . . 0.0 111.288 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.5 168.95 18.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.76 -1.213 . . . . 0.0 108.81 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 75.52 72.45 0.21 Allowed Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 129.412 3.085 . . . . 0.0 115.118 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -76.16 56.97 5.11 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 125.073 3.849 . . . . 0.0 111.105 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -146.66 -49.97 0.2 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 129.664 3.186 . . . . 0.0 103.454 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.68 -40.51 6.95 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 124.902 1.281 . . . . 0.0 112.544 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.369 1.437 0 C-N-CA 127.861 2.464 . . . . 0.0 115.366 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -173.38 154.91 2.62 Favored Pre-proline 0 C--N 1.35 0.594 0 C-N-CA 126.686 1.995 . . . . 0.0 106.095 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -81.23 -175.95 2.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 124.737 3.625 . . . . 0.0 114.657 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -155.37 160.02 40.37 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 124.553 1.141 . . . . 0.0 108.129 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.69 50.35 1.27 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -76.66 -28.39 55.97 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.249 2.22 . . . . 0.0 114.448 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.81 175.49 5.53 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.932 2.093 . . . . 0.0 110.226 173.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -98.89 -13.71 19.9 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.622 -1.923 . . . . 0.0 113.112 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.414 77.8 mttt -54.94 -27.38 43.08 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 119.326 3.084 . . . . 0.0 119.326 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.91 -14.75 6.77 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.136 1.775 . . . . 0.0 115.69 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -69.8 -28.15 65.48 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.496 3.118 . . . . 0.0 112.301 166.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.6 -38.85 86.02 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-N 120.877 1.671 . . . . 0.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -57.25 -37.9 73.01 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.865 2.866 . . . . 0.0 116.253 168.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 p -78.83 -45.52 20.66 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 129.538 3.135 . . . . 0.0 113.158 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.288 3.1 mmp_? 75.78 1.55 3.56 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.373 2.269 . . . . 0.0 113.612 -171.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.307 5.9 tt0 89.24 90.98 0.02 OUTLIER 'General case' 0 C--N 1.361 1.092 0 C-N-CA 130.252 3.421 . . . . 0.0 114.833 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.4 ptp -71.71 -49.13 42.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -52.94 -18.27 1.87 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 131.41 3.884 . . . . 0.0 120.243 -167.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 54' ' ' LEU 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.656 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.658 ' CE1' HG13 ' A' ' 50' ' ' VAL . 5.1 p80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' CE1' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 24' ' ' ILE 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' HB2' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.434 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -113.15 104.64 55.76 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -64.69 147.94 90.07 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 125.074 3.85 . . . . 0.0 115.895 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.347 53.1 p 88.78 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 126.964 2.105 . . . . 0.0 112.399 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 120.09 134.79 0.0 OUTLIER 'General case' 0 C--N 1.362 1.115 0 C-N-CA 131.073 3.749 . . . . 0.0 111.39 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m -111.69 7.54 20.41 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 124.29 1.036 . . . . 0.0 112.609 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.262 4.9 t 71.1 -53.53 0.68 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 128.864 2.866 . . . . 0.0 116.039 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -116.33 -168.69 1.48 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.377 1.471 . . . . 0.0 109.304 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -120.96 127.39 51.77 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.233 -2.167 . . . . 0.0 105.186 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.7 tp -79.42 -41.09 22.22 Favored 'Isoleucine or valine' 0 C--N 1.366 1.292 0 C-N-CA 125.131 1.372 . . . . 0.0 112.87 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.8 mt 75.03 145.3 0.08 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 128.654 2.782 . . . . 0.0 116.802 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.1 p -112.95 4.49 8.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 123.645 1.688 . . . . 0.0 109.065 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.66 135.78 27.41 Favored Pre-proline 0 C--N 1.36 1.022 0 C-N-CA 128.802 2.841 . . . . 0.0 105.981 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 52.8 3.7 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 124.813 3.675 . . . . 0.0 113.901 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 56.1 p -104.49 68.75 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 126.984 2.114 . . . . 0.0 113.968 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -112.21 112.29 23.79 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.1 t -45.82 -33.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 131.385 3.874 . . . . 0.0 117.684 -173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -116.07 26.9 9.61 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.163 2.185 . . . . 0.0 111.715 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.335 64.1 mt-30 80.52 -47.43 0.29 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.127 2.571 . . . . 0.0 115.768 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -139.09 169.12 24.59 Favored Glycine 0 C--N 1.355 1.633 0 O-C-N 120.514 -1.366 . . . . 0.0 111.469 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.14 162.18 39.38 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.4 -178.69 5.4 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 126.277 1.831 . . . . 0.0 107.736 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -77.27 62.28 2.29 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 115.761 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 124' ' ' ASP . 16.2 t-80 -163.54 130.63 3.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.386 1.875 . . . . 0.0 108.311 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.54 18.83 18.07 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.977 1.311 . . . . 0.0 111.664 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.463 ' HA ' ' CE1' ' A' ' 122' ' ' HIS 0.253 42.3 m-20 74.69 57.7 0.07 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.74 2.016 . . . . 0.0 111.987 -177.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 92.2 mtm180 -90.67 64.76 5.76 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.835 1.654 . . . . 0.0 113.371 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -148.6 127.91 12.99 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.442 1.097 . . . . 0.0 108.055 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.72 -60.97 0.5 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.744 2.418 . . . . 0.0 117.407 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.35 87.85 0.63 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -109.48 95.95 21.04 Favored Pre-proline 0 C--N 1.356 0.885 0 C-N-CA 125.94 1.696 . . . . 0.0 109.857 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.97 70.48 7.03 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.464 3.443 . . . . 0.0 110.582 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.18 55.79 0.32 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 129.463 3.105 . . . . 0.0 116.865 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.52 88.34 3.83 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.641 1.976 . . . . 0.0 108.506 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.362 1.147 0 C-N-CA 127.536 2.334 . . . . 0.0 113.522 -178.243 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -173.38 154.7 2.58 Favored Pre-proline 0 C--N 1.349 0.562 0 C-N-CA 126.832 2.053 . . . . 0.0 105.812 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -80.41 -178.69 4.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 124.318 3.345 . . . . 0.0 114.783 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.89 -49.64 3.18 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.037 1.335 . . . . 0.0 110.369 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 78.87 11.74 1.49 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 129.244 3.018 . . . . 0.0 114.974 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -80.89 26.85 0.4 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 114.184 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.19 -158.97 0.68 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 131.419 3.888 . . . . 0.0 116.116 -172.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -55.47 -35.2 65.26 Favored 'General case' 0 C--N 1.362 1.13 1 C-N-CA 133.076 4.55 . . . . 0.0 119.716 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.384 30.1 mmtp -70.15 -26.91 64.15 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 119.987 -1.696 . . . . 0.0 114.574 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.7 -14.64 2.35 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.45 2.7 . . . . 0.0 115.924 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -67.35 -29.49 69.05 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 130.387 3.475 . . . . 0.0 113.092 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.36 -38.9 68.42 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 126.187 1.795 . . . . 0.0 111.589 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.19 -43.44 78.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.69 2.796 . . . . 0.0 114.776 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.359 22.2 p -77.78 -28.81 50.61 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.164 2.986 . . . . 0.0 115.034 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.269 17.5 ttm180 70.96 -116.08 0.09 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 121.386 3.847 . . . . 0.0 121.386 165.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -127.87 15.12 6.91 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.335 1.854 . . . . 0.0 108.928 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtt -66.03 -43.45 87.52 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 129.977 3.311 . . . . 0.0 113.56 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER -54.7 -16.15 2.32 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.071 2.948 . . . . 0.0 116.817 170.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HZ2' ' HA ' ' A' ' 20' ' ' MET . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.436 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.672 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 3.7 p80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.642 ' CG1' ' CE1' ' A' ' 49' ' ' HIS 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HZ2' ' HA ' ' A' ' 62' ' ' LYS . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CH2' HG22 ' A' ' 24' ' ' ILE . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD2' ' A' ' 98' ' ' TRP 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.464 ' HE3' ' CD2' ' A' ' 49' ' ' HIS . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.491 ' CD2' HG21 ' A' ' 81' ' ' VAL . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -75.28 142.61 75.4 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -63.45 129.08 24.15 Favored 'Trans proline' 0 C--N 1.371 1.747 0 CA-C-N 125.643 3.051 . . . . 0.0 116.173 -167.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t 80.98 2.21 1.68 Allowed 'General case' 0 C--N 1.36 1.027 0 C-N-CA 126.737 2.015 . . . . 0.0 112.85 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.61 57.33 2.77 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 127.43 2.292 . . . . 0.0 114.454 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.264 95.5 p 89.93 -19.92 0.16 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.06 3.344 . . . . 0.0 114.04 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.273 7.8 t 98.84 4.4 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 129.42 3.088 . . . . 0.0 111.368 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t70 70.23 -50.28 0.65 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.132 2.973 . . . . 0.0 116.849 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -80.82 -0.62 39.59 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 129.24 3.016 . . . . 0.0 114.66 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.9 mm -116.18 36.22 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -75.08 46.13 0.3 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.421 2.688 . . . . 0.0 115.243 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.318 6.6 t 76.78 42.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.24 0 C-N-CA 128.929 2.892 . . . . 0.0 110.407 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.22 133.32 24.83 Favored Pre-proline 0 C--N 1.355 0.808 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 67.98 6.42 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 124.156 3.237 . . . . 0.0 114.432 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t 33.89 83.06 0.02 OUTLIER 'General case' 0 C--N 1.36 1.031 1 C-N-CA 131.886 4.074 . . . . 0.0 120.641 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.69 30.19 1.07 Allowed 'General case' 0 C--N 1.367 1.329 0 CA-C-O 123.873 1.797 . . . . 0.0 112.219 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.91 117.31 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 131.583 3.953 . . . . 0.0 100.559 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -143.85 142.22 30.72 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.112 -0.993 . . . . 0.0 109.114 -173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -87.85 -21.47 25.0 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.665 3.186 . . . . 0.0 115.961 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 113.82 -54.36 0.56 Allowed Glycine 0 C--N 1.362 2.0 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . 0.304 5.7 tp60 72.97 74.47 0.14 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 130.211 3.404 . . . . 0.0 117.451 173.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.44 -150.86 0.45 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.586 1.954 . . . . 0.0 107.962 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -83.99 69.07 10.25 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.969 -1.707 . . . . 0.0 112.592 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -144.93 147.03 32.26 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.352 2.261 . . . . 0.0 105.135 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.9 tp -123.46 40.68 3.66 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 122.979 1.371 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 13.1 t70 66.38 -57.41 0.37 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 129.367 3.067 . . . . 0.0 118.397 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.72 147.09 23.48 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.676 1.99 . . . . 0.0 112.806 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.76 -174.21 2.37 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.7 mt 80.79 96.35 0.05 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.533 2.333 . . . . 0.0 113.738 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.52 38.1 2.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.819 0.847 . . . . 0.0 109.519 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -165.36 -53.5 0.01 OUTLIER Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 116.579 -1.677 . . . . 0.0 113.145 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -94.62 -95.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 CA-C-N 125.549 3.018 . . . . 0.0 110.405 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -85.0 86.35 7.4 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.401 1.88 . . . . 0.0 110.166 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 103.42 136.67 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 131.003 3.721 . . . . 0.0 108.353 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 C--N 1.359 1.006 0 O-C-N 120.991 -1.068 . . . . 0.0 109.326 176.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.128 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -174.1 161.57 2.94 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -78.35 -171.89 1.35 Allowed 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 125.055 3.837 . . . . 0.0 116.124 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 92.8 167.35 0.03 OUTLIER 'General case' 0 C--N 1.37 1.461 0 C-N-CA 129.015 2.926 . . . . 0.0 113.418 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -85.54 57.52 4.51 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.022 2.129 . . . . 0.0 110.41 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -89.49 -20.57 23.68 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.068 2.547 . . . . 0.0 112.811 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.54 176.1 5.26 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.141 2.176 . . . . 0.0 112.038 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -99.31 -13.57 19.59 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.482 1.913 . . . . 0.0 114.104 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.38 22.0 mmmt -56.48 -28.19 59.08 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 117.7 2.482 . . . . 0.0 117.7 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -55.96 -14.75 2.72 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.789 2.435 . . . . 0.0 115.195 171.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 128.951 2.9 . . . . 0.0 113.815 166.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.09 -38.47 78.98 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 119.961 1.255 . . . . 0.0 113.46 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -59.56 -40.09 86.15 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 128.467 2.707 . . . . 0.0 115.808 173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.355 25.3 p -76.69 -25.81 54.06 Favored 'General case' 0 CA--C 1.49 -1.353 1 C-N-CA 137.603 6.361 . . . . 0.0 114.887 177.682 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -67.36 -16.05 64.03 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.106 -0.996 . . . . 0.0 112.542 165.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.06 131.72 53.0 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.905 2.082 . . . . 0.0 111.714 172.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.488 35.4 mmt -70.35 -31.22 68.4 Favored 'General case' 0 C--O 1.216 -0.679 2 C-N-CA 136.148 5.779 . . . . 0.0 123.322 -172.607 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -48.77 -16.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 -165.214 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG22 ' CH2' ' A' ' 67' ' ' TRP 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.655 ' CE1' ' HB2' ' A' ' 42' ' ' GLN . 21.0 t60 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 31' ' ' HIS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.655 ' HB2' ' CE1' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HE1' ' CD2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.539 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.539 HG13 ' CD2' ' A' ' 49' ' ' HIS 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' HA ' ' A' ' 48' ' ' PRO 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.634 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.458 ' CH2' HG22 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.409 ' CZ2' ' ND2' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -127.43 110.51 21.08 Favored Pre-proline 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -70.71 164.23 36.22 Favored 'Trans proline' 0 C--N 1.363 1.317 1 C-N-CA 125.823 4.349 . . . . 0.0 117.927 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.5 t -2.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.364 1.238 2 C-N-CA 133.974 4.909 . . . . 0.0 122.095 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.47 93.21 0.01 OUTLIER 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.482 2.713 . . . . 0.0 116.611 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.2 p -163.41 -130.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.541 -169.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.1 m -106.05 33.28 3.89 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 126.803 2.041 . . . . 0.0 112.569 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -100.73 11.4 39.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 128.261 2.624 . . . . 0.0 112.152 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -76.99 78.93 3.53 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.951 1.7 . . . . 0.0 114.495 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.301 79.9 mt 115.74 118.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.149 1 C-N-CA 133.676 4.79 . . . . 0.0 107.742 -178.991 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.71 79.78 1.29 Allowed 'General case' 0 C--N 1.366 1.306 0 CA-C-O 122.489 1.138 . . . . 0.0 111.831 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.4 t -103.99 116.28 47.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 C-N-CA 125.641 1.577 . . . . 0.0 107.405 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.404 ' H ' ' CD1' ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.1 147.72 35.33 Favored Pre-proline 0 C--N 1.355 0.839 0 C-N-CA 127.198 2.199 . . . . 0.0 110.736 -177.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -80.88 56.65 6.18 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 124.719 3.613 . . . . 0.0 112.765 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -177.14 -171.47 0.35 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.604 2.362 . . . . 0.0 106.174 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 84.49 24.45 0.1 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 130.317 3.447 . . . . 0.0 111.316 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.4 m -82.32 -33.33 11.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 130.605 3.562 . . . . 0.0 115.882 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 79.23 31.31 0.29 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.186 2.194 . . . . 0.0 116.538 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -86.05 63.52 8.07 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 128.106 2.562 . . . . 0.0 111.677 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.52 45.67 0.81 Allowed Glycine 0 C--N 1.354 1.562 0 N-CA-C 105.892 -2.883 . . . . 0.0 105.892 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.0 -49.8 4.01 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 128.491 2.716 . . . . 0.0 112.776 -174.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.9 174.02 10.97 Favored 'General case' 0 C--N 1.361 1.109 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.5 62.73 1.93 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 128.42 2.688 . . . . 0.0 116.176 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 71.49 -45.4 0.62 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 129.143 2.977 . . . . 0.0 117.619 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.267 3.8 mm? 82.14 48.34 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.504 3.122 . . . . 0.0 111.673 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.17 125.53 53.53 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.903 1.281 . . . . 0.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.455 HH21 ' HB2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -89.63 -70.09 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.926 1.691 . . . . 0.0 112.441 -176.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -131.62 73.54 1.54 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.371 1.468 . . . . 0.0 110.37 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.5 mt 67.32 -59.96 0.39 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 119.909 3.299 . . . . 0.0 119.909 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.74 136.66 36.97 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.741 1.616 . . . . 0.0 112.631 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -96.66 -57.55 0.19 Allowed Pre-proline 0 C--N 1.367 1.342 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.08 55.6 5.39 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 124.819 3.679 . . . . 0.0 114.319 -173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.79 -58.46 0.77 Allowed 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 128.425 2.69 . . . . 0.0 104.561 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.455 ' HB2' HH21 ' A' ' 125' ' ' ARG . 46.7 mtt85 -101.34 -30.23 11.6 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.901 1.28 . . . . 0.0 112.929 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.363 1.157 0 O-C-N 120.568 -1.333 . . . . 0.0 110.187 -176.24 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.458 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.287 79.9 p 79.08 64.92 0.19 Allowed Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 130.146 3.378 . . . . 0.0 113.802 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.67 171.6 7.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 123.675 2.917 . . . . 0.0 112.779 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 63.43 -117.1 0.49 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.491 2.316 . . . . 0.0 116.066 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.8 22.93 11.36 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.471 1.508 . . . . 0.0 108.661 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.67 21.84 6.93 Favored 'General case' 0 C--N 1.366 1.316 0 O-C-N 120.221 -1.549 . . . . 0.0 110.965 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.69 153.13 19.34 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 130.373 3.469 . . . . 0.0 109.334 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -20.63 64.1 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 118.895 -2.378 . . . . 0.0 115.065 -177.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -52.91 -27.65 19.66 Favored 'General case' 0 C--N 1.36 1.022 1 C-N-CA 132.923 4.489 . . . . 0.0 114.888 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.49 -14.46 1.27 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.965 3.306 . . . . 0.0 113.696 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.8 -28.94 66.45 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 128.874 2.869 . . . . 0.0 113.582 167.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.28 -44.37 79.47 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 125.539 1.536 . . . . 0.0 111.654 172.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -69.58 -46.27 66.73 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 170.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.411 ' HB ' ' HE1' ' A' ' 17' ' ' MET . 72.3 p -78.74 -50.77 10.81 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 130.661 3.585 . . . . 0.0 115.447 -177.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.316 42.1 mmt180 76.52 173.35 0.23 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 129.007 2.923 . . . . 0.0 117.685 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -63.81 30.44 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.159 3.384 . . . . 0.0 119.153 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HE1' ' HB ' ' A' ' 14' ' ' THR 0.316 0.0 OUTLIER -71.12 -33.39 70.08 Favored 'General case' 0 C--N 1.354 0.795 1 C-N-CA 132.309 4.243 . . . . 0.0 118.294 177.858 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.28 -18.15 0.89 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.284 3.434 . . . . 0.0 119.369 -166.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.44 HD11 ' CD2' ' A' ' 67' ' ' TRP 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 49' ' ' HIS . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.421 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.437 ' CD2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' HD23 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 71' ' ' VAL . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 67' ' ' TRP . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.405 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 -116.37 153.55 48.77 Favored Pre-proline 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -66.47 157.69 59.23 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 124.431 3.421 . . . . 0.0 116.269 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t 87.75 83.89 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.126 2.97 . . . . 0.0 113.909 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -173.48 -175.62 1.17 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.277 7.7 t 93.56 11.27 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.268 2.627 . . . . 0.0 114.665 176.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 62.0 m -75.17 67.38 1.8 Allowed 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.81 2.044 . . . . 0.0 114.969 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -139.59 121.34 15.39 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 72.92 -59.05 0.58 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.936 2.494 . . . . 0.0 114.467 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.294 42.5 mm 88.98 133.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 130.545 3.538 . . . . 0.0 110.014 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 56.7 0.83 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.578 2.351 . . . . 0.0 113.99 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.59 -29.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.567 2.747 . . . . 0.0 113.979 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.4 pt -112.5 116.36 48.43 Favored Pre-proline 0 C--N 1.354 0.776 0 C-N-CA 126.296 1.838 . . . . 0.0 107.545 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.85 -3.7 12.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 124.204 3.27 . . . . 0.0 113.926 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.4 m -169.04 146.29 3.64 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -169.61 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-O 123.182 1.468 . . . . 0.0 107.115 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -151.11 167.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 101.874 -3.38 . . . . 0.0 101.874 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -104.52 162.49 13.2 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.154 1.781 . . . . 0.0 110.584 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -87.55 143.13 27.36 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 128.227 2.611 . . . . 0.0 111.748 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 136.13 -38.68 1.74 Allowed Glycine 0 C--N 1.36 1.863 0 C-N-CA 124.074 0.845 . . . . 0.0 112.365 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -85.29 83.6 7.93 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.957 1.703 . . . . 0.0 114.386 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . 0.307 . . 109.94 -20.84 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 129.121 2.968 . . . . 0.0 114.806 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -79.39 77.98 5.91 Favored 'General case' 0 C--N 1.364 1.233 0 O-C-N 119.603 -1.935 . . . . 0.0 112.806 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.19 18.37 18.7 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.548 1.539 . . . . 0.0 111.984 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.272 3.4 mm? 72.76 85.56 0.12 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 129.293 3.037 . . . . 0.0 114.774 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.73 61.1 2.93 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.288 1.835 . . . . 0.0 114.403 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -113.9 4.47 15.83 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.899 1.679 . . . . 0.0 110.126 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -72.11 74.84 0.95 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 128.238 2.615 . . . . 0.0 114.81 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.269 74.2 mt 84.41 49.05 0.01 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.899 3.28 . . . . 0.0 111.323 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.55 95.66 3.95 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.062 1.745 . . . . 0.0 113.896 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 67.27 57.06 0.83 Allowed Pre-proline 0 C--N 1.355 0.82 0 N-CA-C 119.822 3.268 . . . . 0.0 119.822 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.63 58.23 5.32 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 124.024 3.15 . . . . 0.0 109.737 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 73.51 -33.78 0.27 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 129.238 3.015 . . . . 0.0 115.824 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -99.03 162.84 12.85 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.964 2.505 . . . . 0.0 111.013 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 . . . . . 0 C--N 1.36 1.06 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -176.651 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.162 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -118.07 91.77 40.78 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.811 2.044 . . . . 0.0 111.023 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -77.52 -170.6 0.97 Allowed 'Trans proline' 0 C--N 1.368 1.591 1 C-N-CA 125.302 4.001 . . . . 0.0 114.65 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -86.06 -27.89 24.45 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.702 1.601 . . . . 0.0 113.78 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.35 37.7 t80 94.79 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 130.999 3.72 . . . . 0.0 110.385 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.344 0.0 OUTLIER 37.53 84.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.654 1 C-N-CA 134.003 4.921 . . . . 0.0 118.018 175.929 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -127.43 -160.29 1.0 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 127.349 2.26 . . . . 0.0 110.21 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -14.47 1.46 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.783 3.633 . . . . 0.0 120.073 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -29.21 64.74 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 118.992 -2.317 . . . . 0.0 114.444 171.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.67 -14.25 3.11 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 128.451 2.7 . . . . 0.0 115.269 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -68.88 -30.29 68.75 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 131.336 3.854 . . . . 0.0 112.815 168.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.57 -39.5 62.21 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.573 1.949 . . . . 0.0 110.65 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.2 -36.71 82.3 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.758 2.423 . . . . 0.0 115.035 170.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.481 17.9 p -78.09 -27.33 48.45 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 130.872 3.669 . . . . 0.0 116.28 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -77.64 26.92 0.17 Allowed 'General case' 0 C--N 1.373 1.597 0 O-C-N 119.738 -1.851 . . . . 0.0 113.938 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -148.62 135.64 20.05 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.269 3.427 . . . . 0.0 106.23 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 1.02 12.0 mmt -70.21 -29.68 66.59 Favored 'General case' 0 C--N 1.36 1.024 2 N-CA-C 123.937 4.791 . . . . 0.0 123.937 -176.27 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -16.15 0.09 Allowed 'General case' 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 -162.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 23' ' ' LYS 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 42' ' ' GLN . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' H ' ' ND2' ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 61' ' ' LYS 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 64' ' ' LYS 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.647 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.462 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 42' ' ' GLN 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.418 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -140.14 155.39 70.56 Favored Pre-proline 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -66.44 160.04 47.57 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 125.227 3.952 . . . . 0.0 118.391 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.321 2.8 t 91.05 -7.41 0.27 Allowed 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.625 3.17 . . . . 0.0 116.289 172.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.91 82.83 0.0 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 131.556 3.942 . . . . 0.0 116.621 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.0 t 93.43 18.11 0.02 OUTLIER 'General case' 0 C--N 1.371 1.52 0 C-N-CA 129.007 2.923 . . . . 0.0 109.158 -175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 76.8 m 78.87 -51.45 0.45 Allowed 'General case' 0 C--N 1.379 1.869 0 C-N-CA 128.207 2.603 . . . . 0.0 112.702 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . 0.45 2.7 p30 75.6 25.72 1.18 Allowed 'General case' 0 C--N 1.36 1.037 1 C-N-CA 132.02 4.128 . . . . 0.0 114.927 178.023 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -93.18 -43.08 9.02 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.138 1.775 . . . . 0.0 113.344 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.0 tt -154.32 172.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 tp -120.85 134.15 55.3 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.97 32.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 125.187 1.395 . . . . 0.0 112.197 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -114.38 102.85 55.09 Favored Pre-proline 0 C--N 1.359 1.002 0 C-N-CA 126.525 1.93 . . . . 0.0 107.855 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.68 -94.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.912 3.741 . . . . 0.0 111.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p -151.54 -66.73 0.18 Allowed 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -121.35 -147.36 0.39 Allowed 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.448 2.299 . . . . 0.0 106.569 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.4 76.77 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.092 1.757 . . . . 0.0 113.457 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.274 1.9 m0 70.75 51.18 0.33 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.675 3.59 . . . . 0.0 117.764 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.25 95.91 6.04 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.258 1.823 . . . . 0.0 112.352 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.89 17.87 33.91 Favored Glycine 0 C--N 1.362 2.01 0 N-CA-C 118.062 1.985 . . . . 0.0 118.062 169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -105.89 175.25 5.56 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 123.356 1.55 . . . . 0.0 114.225 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -111.06 -176.34 2.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.793 1.637 . . . . 0.0 109.683 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -141.83 45.93 1.68 Allowed 'General case' 0 C--N 1.362 1.117 0 CA-C-O 122.627 1.203 . . . . 0.0 108.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -70.19 58.51 0.17 Allowed 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.723 3.209 . . . . 0.0 113.788 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.8 tp -153.94 -43.46 0.09 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 128.694 2.798 . . . . 0.0 106.877 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.253 30.8 m-20 73.25 13.24 4.74 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.704 2.402 . . . . 0.0 116.833 174.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -74.66 56.38 0.7 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 128.221 2.609 . . . . 0.0 114.903 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -98.52 -30.97 12.21 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.203 2.201 . . . . 0.0 111.997 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 tp 80.99 42.44 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.421 2.688 . . . . 0.0 111.43 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -79.49 -27.8 41.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.959 2.903 . . . . 0.0 114.82 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -101.3 136.96 19.55 Favored Pre-proline 0 C--N 1.357 0.907 0 O-C-N 120.487 -1.383 . . . . 0.0 108.828 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.58 -17.4 29.98 Favored 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 124.944 3.763 . . . . 0.0 112.905 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -81.93 3.27 26.97 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.809 2.444 . . . . 0.0 113.563 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -113.26 4.4 16.44 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.198 1.399 . . . . 0.0 110.811 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.362 1.131 0 C-N-CA 126.907 2.083 . . . . 0.0 111.101 -178.558 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.363 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.306 79.4 p 77.81 67.96 0.2 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 130.052 3.341 . . . . 0.0 114.003 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.67 171.94 12.8 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.4 3.4 . . . . 0.0 112.658 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.87 -40.23 13.26 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.019 1.728 . . . . 0.0 114.298 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 65.53 34.26 8.04 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.207 3.003 . . . . 0.0 115.565 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -75.39 47.26 0.37 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 119.28 -2.138 . . . . 0.0 115.674 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -120.48 166.84 13.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.339 2.256 . . . . 0.0 113.538 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -14.27 61.85 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.998 2.519 . . . . 0.0 115.554 -177.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.4 35.3 mtmm -70.49 -25.68 63.26 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 130.529 3.532 . . . . 0.0 112.749 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.05 -14.46 1.56 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 129.654 3.182 . . . . 0.0 115.438 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.17 -32.33 72.07 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.975 2.91 . . . . 0.0 114.247 168.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.8 -41.67 59.55 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 119.889 1.222 . . . . 0.0 111.911 175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.65 -46.21 91.18 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.523 3.129 . . . . 0.0 115.36 171.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 p -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.754 2.822 . . . . 0.0 115.333 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.324 52.6 mtm180 83.45 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.886 2.874 . . . . 0.0 111.493 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -85.15 43.67 1.03 Allowed 'General case' 0 C--N 1.364 1.205 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 ptp -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.154 1.381 . . . . 0.0 114.019 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -52.72 -16.05 0.87 Allowed 'General case' 0 C--N 1.359 1.016 1 C-N-CA 132.74 4.416 . . . . 0.0 117.15 -177.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.463 HD13 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' HD1' HG11 ' A' ' 50' ' ' VAL . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG11 ' HD1' ' A' ' 49' ' ' HIS 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD22 ' H ' ' A' ' 63' ' ' MET 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.521 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.513 ' H ' HD22 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.489 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.519 ' HA ' ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -118.89 120.26 31.56 Favored Pre-proline 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -67.61 130.17 21.55 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.993 2.462 . . . . 0.0 117.134 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.376 36.8 p 84.42 170.53 0.08 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 128.438 2.695 . . . . 0.0 116.981 171.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.33 65.91 1.37 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.463 1.505 . . . . 0.0 107.296 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t 79.15 -31.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 128.27 2.628 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.28 -173.75 4.52 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.945 2.898 . . . . 0.0 113.301 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -93.24 -174.56 3.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 125.912 1.685 . . . . 0.0 113.626 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 78.34 80.22 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 128.157 2.583 . . . . 0.0 112.146 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.9 mm -81.66 67.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 125.361 1.464 . . . . 0.0 112.65 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 tp -104.33 128.75 52.19 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.083 2.153 . . . . 0.0 106.567 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.01 -42.2 85.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 126.767 2.027 . . . . 0.0 115.973 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.8 mm 72.16 78.65 0.2 Allowed Pre-proline 0 C--N 1.367 1.34 0 C-N-CA 127.601 2.361 . . . . 0.0 110.314 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.97 149.76 9.58 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.402 2.735 . . . . 0.0 113.026 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -82.15 -16.67 49.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.213 1.805 . . . . 0.0 114.015 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 69.36 -48.3 0.6 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.5 2.72 . . . . 0.0 116.862 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.21 158.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -90.89 68.69 6.33 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 119.28 -2.137 . . . . 0.0 111.482 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.51 46.7 2.45 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.462 1.505 . . . . 0.0 108.252 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.95 -24.03 7.88 Favored Glycine 0 C--N 1.361 1.967 0 C-N-CA 125.968 1.746 . . . . 0.0 112.191 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -89.22 165.43 14.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 129.703 3.201 . . . . 0.0 112.871 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.72 134.76 47.81 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.719 -1.238 . . . . 0.0 109.236 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -133.59 150.37 51.63 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.7 t60 71.18 -43.77 0.57 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.386 2.275 . . . . 0.0 116.489 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.29 53.68 0.05 Allowed 'General case' 0 C--N 1.359 1.0 0 C-N-CA 130.194 3.397 . . . . 0.0 116.622 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.7 64.0 5.32 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.669 2.387 . . . . 0.0 112.768 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -105.22 -39.27 6.25 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.562 2.345 . . . . 0.0 110.611 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -99.0 20.23 13.66 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.344 1.857 . . . . 0.0 112.705 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.42 156.31 31.97 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.42 174.44 14.37 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -130.04 155.54 80.53 Favored Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 124.262 1.025 . . . . 0.0 109.006 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.74 130.04 10.36 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 124.533 3.488 . . . . 0.0 112.036 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -144.63 109.07 4.86 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . 0.259 75.7 mtp180 74.07 -51.36 0.69 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.255 2.222 . . . . 0.0 115.052 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--N 1.355 0.834 0 C-N-CA 127.251 2.221 . . . . 0.0 107.26 177.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.311 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -106.87 110.31 63.57 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 126.773 2.029 . . . . 0.0 108.661 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -62.45 -52.9 2.16 Favored 'Trans proline' 0 C--N 1.362 1.277 1 C-N-CA 125.593 4.195 . . . . 0.0 117.535 -176.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 70.99 -162.2 0.14 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 131.408 3.883 . . . . 0.0 112.902 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.14 8.77 42.58 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.724 -1.86 . . . . 0.0 109.147 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -98.23 43.99 1.05 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.369 3.467 . . . . 0.0 110.22 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -106.03 173.47 6.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.401 2.681 . . . . 0.0 113.626 -174.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -67.51 -25.2 65.73 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 128.112 2.565 . . . . 0.0 114.801 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.464 34.7 mtmm -70.92 -27.22 63.61 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 127.952 2.501 . . . . 0.0 116.622 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -55.59 -16.39 3.96 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.421 2.288 . . . . 0.0 115.067 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -76.32 -32.93 58.98 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.314 3.445 . . . . 0.0 113.472 170.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.57 -38.97 62.53 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 126.427 1.891 . . . . 0.0 111.465 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.255 13.1 tp10 -63.6 -46.56 85.21 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 121.719 3.97 . . . . 0.0 121.719 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 t -67.87 -42.98 80.44 Favored 'General case' 0 N--CA 1.451 -0.375 1 C-N-CA 134.761 5.225 . . . . 0.0 117.713 -171.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.301 32.4 mmt180 8.06 -63.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 2 N-CA-C 122.447 4.24 . . . . 0.0 122.447 -177.754 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -136.0 5.87 3.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 110.841 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.276 1.9 mpp? -71.04 -34.53 71.35 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.712 2.805 . . . . 0.0 117.291 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -66.54 -18.59 65.45 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 129.642 3.177 . . . . 0.0 115.389 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HE3' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 16.3 m170 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.277 0.0 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.424 ' HB3' ' HD2' ' A' ' 64' ' ' LYS 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.528 ' HD1' ' CG2' ' A' ' 50' ' ' VAL 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.528 ' CG2' ' HD1' ' A' ' 49' ' ' HIS 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 48' ' ' PRO . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 -112.35 114.56 50.48 Favored Pre-proline 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -74.37 165.26 32.2 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 125.024 3.816 . . . . 0.0 114.912 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -44.63 40.99 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.715 1 C-N-CA 133.253 4.621 . . . . 0.0 120.856 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 57.37 0.65 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.51 2.724 . . . . 0.0 115.409 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -96.8 -6.98 34.82 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 129.622 3.169 . . . . 0.0 111.606 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 14.9 t -111.59 -29.1 7.87 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 126.24 1.816 . . . . 0.0 109.597 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -123.95 55.05 1.29 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.572 1.949 . . . . 0.0 107.047 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 170.48 16.41 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.519 3.127 . . . . 0.0 113.871 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.6 tp -73.94 -40.14 52.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 126.729 2.012 . . . . 0.0 114.49 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.0 OUTLIER 159.42 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 129.883 3.273 . . . . 0.0 110.425 178.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.352 71.3 t 91.3 107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 129.451 3.1 . . . . 0.0 109.69 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 80.4 mt -85.2 138.57 36.62 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 126.947 2.099 . . . . 0.0 109.395 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -74.82 171.76 17.62 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 124.28 3.32 . . . . 0.0 112.38 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.328 82.6 p 95.48 11.19 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.883 2.473 . . . . 0.0 113.419 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -72.4 70.08 0.86 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.447 2.299 . . . . 0.0 113.954 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.478 19.7 m 72.73 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.467 1 C-N-CA 134.629 5.172 . . . . 0.0 113.686 -173.811 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -117.09 -36.09 3.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.548 -1.97 . . . . 0.0 110.286 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.313 0.0 OUTLIER 98.55 142.71 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 128.463 2.705 . . . . 0.0 107.845 -176.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.36 52.39 3.78 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.731 1.634 . . . . 0.0 112.033 -172.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -153.67 132.23 12.17 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.703 -0.881 . . . . 0.0 112.073 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.36 -2.62 56.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.631 1.972 . . . . 0.0 112.588 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -114.86 110.76 20.17 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 129.002 2.921 . . . . 0.0 104.406 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.22 165.17 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 122.773 1.273 . . . . 0.0 113.585 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.4 mp -134.34 177.02 8.08 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 102.378 -3.194 . . . . 0.0 102.378 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -86.53 146.05 26.53 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 120.529 1.513 . . . . 0.0 111.019 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -90.94 65.1 5.6 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -115.76 113.65 23.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.137 1.775 . . . . 0.0 107.804 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.72 130.2 37.79 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -92.47 120.61 33.12 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.079 0.952 . . . . 0.0 112.255 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -96.6 126.2 44.22 Favored Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 125.627 1.571 . . . . 0.0 111.706 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.02 3.88 7.5 Favored 'Trans proline' 0 CA--C 1.55 1.314 0 C-N-CA 124.692 3.595 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -124.49 42.22 3.31 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.908 2.483 . . . . 0.0 107.934 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -83.83 105.83 15.04 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.599 1.96 . . . . 0.0 113.101 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.353 0.733 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 179.604 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.153 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -174.14 147.64 1.27 Allowed Pre-proline 0 C--N 1.351 0.639 0 C-N-CA 126.333 1.853 . . . . 0.0 106.281 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -83.8 178.99 5.08 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.44 3.426 . . . . 0.0 113.867 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 5' ' ' PHE . 4.7 pt-20 -155.5 -79.69 0.09 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 124.541 1.137 . . . . 0.0 111.956 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 76.3 m-85 67.06 76.53 0.29 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 129.899 3.28 . . . . 0.0 115.7 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -120.07 0.09 10.66 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.457 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -128.17 167.88 16.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.334 2.654 . . . . 0.0 106.812 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 p -102.61 -63.02 1.2 Allowed 'General case' 0 C--N 1.368 1.378 1 N-CA-C 121.91 4.041 . . . . 0.0 121.91 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -73.26 -30.17 63.26 Favored 'General case' 0 CA--C 1.473 -1.997 0 N-CA-C 119.112 3.005 . . . . 0.0 119.112 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.496 10.0 mt-10 -61.3 -12.75 14.81 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.59 -29.07 70.37 Favored 'General case' 0 C--N 1.376 1.753 1 C-N-CA 133.679 4.792 . . . . 0.0 113.333 169.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.03 -45.06 44.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.416 1.886 . . . . 0.0 113.054 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.73 -46.69 88.55 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 130.971 3.708 . . . . 0.0 119.492 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 73' ' ' PHE . 15.3 t -63.1 -29.38 70.76 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 133.763 4.825 . . . . 0.0 114.534 -176.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -79.92 145.46 32.64 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.602 1.561 . . . . 0.0 115.197 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.322 64.3 mm-40 82.46 -27.95 0.11 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.38 3.072 . . . . 0.0 113.693 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.465 ' HB2' HH12 ' A' ' 69' ' ' ARG . 4.3 tmm? -49.87 -35.19 22.46 Favored 'General case' 0 C--N 1.366 1.302 1 C-N-CA 135.437 5.495 . . . . 0.0 113.861 174.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -53.41 -16.65 1.49 Allowed 'General case' 0 C--N 1.366 1.316 1 C-N-CA 133.137 4.575 . . . . 0.0 116.995 173.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' A' ' 50' ' ' VAL 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HE1' ' CD1' ' A' ' 98' ' ' TRP . 8.4 p80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' CG1' ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.489 ' HE ' ' HB2' ' A' ' 61' ' ' LYS 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.66 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 54' ' ' LEU . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.465 HH12 ' HB2' ' A' ' 17' ' ' MET . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 14' ' ' THR 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 98' ' ' TRP 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 31' ' ' HIS 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.429 HG13 ' CZ3' ' A' ' 98' ' ' TRP . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -109.71 101.11 45.39 Favored Pre-proline 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -67.27 130.13 21.91 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 125.233 3.955 . . . . 0.0 114.279 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.26 5.6 t 101.49 -179.12 0.0 OUTLIER 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.911 2.484 . . . . 0.0 111.937 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.04 69.07 1.43 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.28 75.7 m 65.98 -134.11 0.19 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.557 2.343 . . . . 0.0 112.317 -170.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.2 p -151.59 -69.69 0.17 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -115.94 81.24 1.57 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -88.52 -35.05 17.19 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.657 1.583 . . . . 0.0 111.815 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.485 6.1 tt 68.92 -71.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.224 0 C-N-CA 130.582 3.553 . . . . 0.0 114.828 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.8 tp -170.54 126.79 0.77 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 p -103.04 91.09 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 123.461 1.601 . . . . 0.0 110.387 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.14 106.82 44.0 Favored Pre-proline 0 C--N 1.352 0.713 0 C-N-CA 127.434 2.294 . . . . 0.0 108.2 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.29 51.27 3.84 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 124.42 3.413 . . . . 0.0 113.976 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 p -107.15 87.71 2.57 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.857 2.463 . . . . 0.0 109.253 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.254 39.4 ttmt 100.21 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 128.958 2.903 . . . . 0.0 109.023 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.0 64.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 128.11 2.564 . . . . 0.0 108.486 175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -64.11 76.14 0.04 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.404 2.682 . . . . 0.0 114.691 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 73.07 -49.39 0.7 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 130.129 3.372 . . . . 0.0 114.618 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.78 34.95 33.05 Favored Glycine 0 C--N 1.36 1.89 0 C-N-CA 127.589 2.519 . . . . 0.0 114.702 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -85.16 59.37 5.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 114.514 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.25 -165.9 1.56 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.646 1.178 . . . . 0.0 108.841 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -152.94 -175.52 5.36 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.424 1.49 . . . . 0.0 107.95 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 123' ' ' LEU . 44.4 t60 -153.77 -174.69 5.05 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 2.0 pt? -147.24 -169.18 3.24 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 108.862 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -132.58 151.7 51.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.391 1.476 . . . . 0.0 107.321 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -84.36 63.59 7.87 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.218 1.807 . . . . 0.0 112.967 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -75.78 61.15 1.38 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.178 2.191 . . . . 0.0 114.536 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.03 53.68 2.52 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 127.893 2.477 . . . . 0.0 114.178 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.86 -3.26 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.973 2.109 . . . . 0.0 109.924 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -115.33 131.64 23.49 Favored Pre-proline 0 C--N 1.354 0.789 0 C-N-CA 127.906 2.483 . . . . 0.0 107.818 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.36 69.5 7.16 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.672 2.914 . . . . 0.0 113.436 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -87.57 -25.16 23.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.405 1.482 . . . . 0.0 111.788 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 71.38 -59.92 0.53 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.052 2.941 . . . . 0.0 115.479 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.35 0.625 0 C-N-CA 125.728 1.611 . . . . 0.0 108.358 -178.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.23 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -173.5 155.37 2.63 Favored Pre-proline 0 C--N 1.349 0.55 0 C-N-CA 126.881 2.072 . . . . 0.0 105.764 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -80.76 -177.69 3.91 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.406 3.404 . . . . 0.0 114.711 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -110.82 153.91 24.72 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.183 1.393 . . . . 0.0 110.082 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -120.83 41.58 3.25 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.753 1.221 . . . . 0.0 110.672 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -84.59 31.99 0.52 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.505 2.322 . . . . 0.0 112.236 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -103.05 173.99 6.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 130.43 3.492 . . . . 0.0 112.815 -174.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.24 -13.57 60.45 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.728 -1.857 . . . . 0.0 114.002 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 7' ' ' TRP 0.559 84.5 mttt -63.54 -25.68 68.36 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.42 2.288 . . . . 0.0 115.583 178.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.41 -16.45 3.66 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 167.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.62 -27.85 65.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 130.364 3.466 . . . . 0.0 111.743 167.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.67 -42.33 74.95 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.287 1.835 . . . . 0.0 113.343 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -61.86 -28.04 69.21 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 128.338 2.655 . . . . 0.0 117.11 169.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 p -79.62 -52.79 7.53 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.581 2.753 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.25 3.0 tpm_? 83.98 8.81 0.54 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 130.287 3.435 . . . . 0.0 112.633 -172.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.252 14.4 tt0 87.37 85.96 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 129.641 3.176 . . . . 0.0 109.466 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ptp -71.25 -36.11 71.65 Favored 'General case' 0 C--N 1.35 0.621 1 N-CA-C 123.502 4.631 . . . . 0.0 123.502 -171.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -69.64 -24.65 63.66 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 -164.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 1.3 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.644 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.644 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HA ' HD13 ' A' ' 54' ' ' LEU . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.505 ' HA ' ' CE3' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.505 ' CE3' ' HA ' ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -138.26 98.15 9.33 Favored Pre-proline 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -70.11 162.46 42.16 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 125.071 3.847 . . . . 0.0 116.423 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t 79.31 39.68 0.11 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.794 2.438 . . . . 0.0 112.806 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.24 68.32 0.33 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.099 3.359 . . . . 0.0 116.74 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -158.02 -82.56 0.05 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 125.045 1.338 . . . . 0.0 110.068 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.5 m 111.8 -7.65 0.01 OUTLIER 'General case' 0 C--N 1.365 1.252 0 C-N-CA 131.011 3.724 . . . . 0.0 109.089 -173.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.6 t70 70.36 -55.16 0.62 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 128.562 2.745 . . . . 0.0 116.415 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 107' ' ' LYS . 9.3 mtmp? -70.22 54.96 0.14 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.881 2.873 . . . . 0.0 115.962 -176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.327 95.9 mt 76.66 -91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 129.393 3.077 . . . . 0.0 110.074 -177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 tp -175.73 104.27 0.08 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.4 t -89.11 57.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.126 0 O-C-N 119.6 -1.937 . . . . 0.0 112.209 -174.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.0 tp -156.91 139.49 10.6 Favored Pre-proline 0 C--N 1.356 0.861 0 N-CA-C 103.107 -2.923 . . . . 0.0 103.107 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.83 61.55 8.23 Favored 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 124.691 3.594 . . . . 0.0 112.985 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -124.28 37.1 4.48 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.142 2.177 . . . . 0.0 108.214 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -102.05 -0.39 33.63 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 111.457 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.9 p -97.13 41.02 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 129.45 3.1 . . . . 0.0 111.291 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.5 -143.19 0.25 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.781 2.433 . . . . 0.0 111.066 177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -134.84 152.1 51.47 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.681 -1.887 . . . . 0.0 107.881 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.24 -53.48 0.42 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.414 ' HG2' ' H ' ' A' ' 120' ' ' ALA . 8.6 tt0 169.29 -142.5 0.0 OUTLIER 'General case' 0 C--N 1.351 0.638 0 N-CA-C 100.202 -3.999 . . . . 0.0 100.202 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' A' ' 119' ' ' GLN . . . -84.58 80.14 9.34 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 127.621 2.369 . . . . 0.0 108.09 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.292 17.9 t80 85.16 -55.52 0.09 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 130.442 3.497 . . . . 0.0 112.157 -175.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -160.73 172.33 17.27 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.53 -157.51 0.63 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.549 2.34 . . . . 0.0 111.122 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -151.36 155.7 39.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . 0.269 50.6 ttt85 81.21 -114.55 0.02 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.953 2.501 . . . . 0.0 113.206 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -172.11 155.61 3.74 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 103.372 -2.825 . . . . 0.0 103.372 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.9 mt -109.45 131.38 55.11 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.348 1.059 . . . . 0.0 110.567 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -89.86 -13.51 36.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.638 1.575 . . . . 0.0 111.833 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.487 ' H ' ' HD2' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -71.64 -52.85 7.9 Favored Pre-proline 0 C--N 1.358 0.962 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -177.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.98 70.54 7.44 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.026 3.151 . . . . 0.0 113.305 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -84.08 58.3 4.67 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 112.613 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -92.94 90.07 6.81 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.972 1.709 . . . . 0.0 111.203 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.352 0.71 0 C-N-CA 124.259 1.024 . . . . 0.0 109.972 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.308 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -154.57 141.47 13.38 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 126.555 1.942 . . . . 0.0 105.899 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.87 150.49 38.93 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.827 3.685 . . . . 0.0 112.039 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 52.51 -46.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 131.525 3.93 . . . . 0.0 119.221 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.252 10.8 t80 75.82 47.35 0.09 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.4 3.48 . . . . 0.0 111.037 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -94.12 18.56 10.56 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 128.308 2.643 . . . . 0.0 115.785 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -35.65 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.773 4.829 . . . . 0.0 118.871 179.071 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.57 19.34 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.3 2.24 . . . . 0.0 109.92 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -52.58 -27.92 18.84 Favored 'General case' 0 C--N 1.364 1.22 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -55.67 -17.62 6.2 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.401 2.68 . . . . 0.0 115.667 171.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.9 -28.97 67.15 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 130.778 3.631 . . . . 0.0 112.589 168.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.22 -34.12 75.86 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 127.367 2.267 . . . . 0.0 112.839 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.3 -33.05 74.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.825 2.05 . . . . 0.0 115.642 166.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.45 -52.43 8.07 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.112 2.965 . . . . 0.0 112.818 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HB2' ' CD1' ' A' ' 73' ' ' PHE 0.302 72.6 mtt85 72.09 -112.28 0.05 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 129.392 3.077 . . . . 0.0 115.379 -176.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -119.8 59.11 0.88 Allowed 'General case' 0 C--N 1.364 1.228 0 O-C-N 120.107 -1.621 . . . . 0.0 113.955 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.5 ptp -69.52 -35.06 75.14 Favored 'General case' 0 C--N 1.364 1.22 0 O-C-N 119.244 -2.16 . . . . 0.0 113.542 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -52.33 -17.95 1.38 Allowed 'General case' 0 CA--C 1.541 0.624 1 C-N-CA 134.468 5.107 . . . . 0.0 117.209 -176.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 67' ' ' TRP 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HA ' HE21 ' A' ' 100' ' ' GLN 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 35' ' ' CYS . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.744 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.744 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.452 ' CD2' HD11 ' A' ' 24' ' ' ILE . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 73' ' ' PHE 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 67' ' ' TRP . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' CG1' ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.454 ' CE3' ' CG1' ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 36' ' ' GLN . 4.6 mm100 -143.45 104.2 5.04 Favored Pre-proline 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -65.67 136.99 48.2 Favored 'Trans proline' 0 C--N 1.365 1.438 1 C-N-CA 125.324 4.016 . . . . 0.0 115.049 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.298 35.5 p 85.58 -122.15 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.675 1.99 . . . . 0.0 111.867 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 71.55 -163.65 0.13 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.893 2.077 . . . . 0.0 116.019 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.8 p -104.29 0.67 29.54 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.989 1.315 . . . . 0.0 111.907 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.282 80.2 m 71.14 -59.43 0.54 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 129.531 3.132 . . . . 0.0 116.267 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 78.62 133.05 0.06 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.612 2.765 . . . . 0.0 114.205 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -105.15 141.7 36.24 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.55 -1.344 . . . . 0.0 110.269 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.4 pt -77.52 85.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 125.846 1.658 . . . . 0.0 113.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -92.04 3.75 54.57 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.408 2.283 . . . . 0.0 113.239 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.282 27.5 t 82.48 82.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.039 0 C-N-CA 130.105 3.362 . . . . 0.0 110.549 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 tt -101.8 140.38 21.15 Favored Pre-proline 0 C--N 1.354 0.783 0 C-N-CA 126.27 1.828 . . . . 0.0 108.949 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -65.11 96.03 0.26 Allowed 'Trans proline' 0 C--N 1.372 1.798 1 C-N-CA 125.308 4.006 . . . . 0.0 113.75 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -167.46 -83.87 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.473 1.509 . . . . 0.0 107.388 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.255 31.7 mtmm 71.33 -47.73 0.66 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.23 2.212 . . . . 0.0 116.88 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 m -118.46 11.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.763 1.625 . . . . 0.0 108.562 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.325 2.7 m-90 62.39 -58.99 0.13 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 130.363 3.465 . . . . 0.0 117.22 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.99 -16.16 39.21 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 129.083 2.953 . . . . 0.0 116.108 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 89.47 -33.41 4.36 Favored Glycine 0 C--N 1.361 1.918 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -79.34 -55.0 5.39 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.99 1.716 . . . . 0.0 113.397 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 71.48 -69.98 0.17 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.432 2.293 . . . . 0.0 116.792 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -138.38 102.35 4.61 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 125.826 1.65 . . . . 0.0 107.846 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -93.92 92.71 7.52 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.373 2.269 . . . . 0.0 108.884 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.53 177.32 6.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.34 154.49 47.61 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.989 1.716 . . . . 0.0 107.197 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 72.14 -52.5 0.7 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 127.754 2.422 . . . . 0.0 116.157 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 79.69 49.6 0.03 OUTLIER 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.813 2.845 . . . . 0.0 112.15 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -86.41 -15.49 40.15 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.993 2.917 . . . . 0.0 115.377 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.32 46.73 1.25 Allowed 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.327 2.251 . . . . 0.0 113.937 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -139.72 153.53 70.18 Favored Pre-proline 0 C--N 1.354 0.763 0 C-N-CA 128.533 2.733 . . . . 0.0 105.788 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.05 67.17 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 125.268 3.979 . . . . 0.0 114.806 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.32 -75.92 0.59 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.387 1.875 . . . . 0.0 109.904 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -88.57 83.84 6.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.877 1.671 . . . . 0.0 111.964 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--N 1.358 0.953 0 C-N-CA 125.923 1.689 . . . . 0.0 109.833 -178.148 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.155 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -173.45 156.48 2.84 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.513 1.925 . . . . 0.0 106.546 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -78.65 -172.36 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.728 3.618 . . . . 0.0 114.881 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -116.25 159.48 21.79 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.465 1.106 . . . . 0.0 111.058 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -120.76 27.48 8.49 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 126.079 1.752 . . . . 0.0 109.547 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -100.68 7.04 44.13 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.212 2.205 . . . . 0.0 112.232 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -86.09 -116.64 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.205 2.602 . . . . 0.0 114.777 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -79.73 -13.77 59.22 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 130.041 3.337 . . . . 0.0 114.296 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -70.28 -27.75 64.67 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 129.545 3.138 . . . . 0.0 111.884 172.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -55.76 -14.72 2.47 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 128.03 2.532 . . . . 0.0 115.832 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.71 -28.33 68.35 Favored 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.728 4.411 . . . . 0.0 114.297 169.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.46 -31.39 62.22 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 124.633 1.173 . . . . 0.0 113.437 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.08 -46.89 85.29 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -64.4 -29.76 70.81 Favored 'General case' 0 CA--C 1.534 0.355 1 C-N-CA 135.2 5.4 . . . . 0.0 114.563 -177.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -77.74 19.03 0.41 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 119.229 -2.169 . . . . 0.0 115.269 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -109.58 -10.59 14.84 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.848 3.659 . . . . 0.0 109.188 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -70.77 -38.83 73.45 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 126.802 2.041 . . . . 0.0 114.592 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 -52.91 -16.78 1.12 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.51 3.524 . . . . 0.0 118.282 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD11 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.57 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 31' ' ' HIS 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -111.66 112.02 54.04 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -67.11 129.7 21.15 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 125.046 3.831 . . . . 0.0 117.102 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.302 18.0 t 90.97 140.36 0.03 OUTLIER 'General case' 0 C--N 1.359 1.02 0 C-N-CA 127.844 2.458 . . . . 0.0 115.517 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.44 -174.22 2.86 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.071 2.148 . . . . 0.0 109.113 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -100.83 -116.33 0.17 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.671 -1.268 . . . . 0.0 110.179 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 49.0 t -95.48 -89.99 0.24 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.471 1.508 . . . . 0.0 107.095 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -124.43 65.03 1.08 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -107.12 141.54 38.21 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.61 -1.306 . . . . 0.0 110.093 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.412 HG22 ' H ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -98.97 -74.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.027 1.731 . . . . 0.0 108.387 174.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.412 ' H ' HG22 ' A' ' 108' ' ' ILE . 54.0 tp -150.82 143.27 24.32 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.97 -0.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.0 tp -120.24 92.42 47.21 Favored Pre-proline 0 C--N 1.354 0.788 0 O-C-N 119.96 -1.712 . . . . 0.0 109.946 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.73 65.88 8.84 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 124.656 3.571 . . . . 0.0 113.119 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -129.03 128.73 44.21 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.873 1.669 . . . . 0.0 106.67 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 54.29 1.34 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.401 1.48 . . . . 0.0 107.661 -177.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.08 53.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.48 2.712 . . . . 0.0 117.683 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -94.94 -13.3 25.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.641 2.376 . . . . 0.0 111.93 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -124.1 174.6 7.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.24 121.98 5.68 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 120.156 -1.59 . . . . 0.0 113.529 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -74.32 59.71 0.8 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.55 52.52 1.19 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.584 1.953 . . . . 0.0 114.154 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 59.05 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.36 1.033 0 C-N-CA 130.91 3.684 . . . . 0.0 116.905 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -157.6 53.86 0.48 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 125.508 1.523 . . . . 0.0 107.077 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.255 22.7 mt 82.2 41.42 0.04 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 129.647 3.179 . . . . 0.0 114.21 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.82 76.56 10.0 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 119.591 -1.943 . . . . 0.0 112.534 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 70.54 -53.91 0.65 Allowed 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.934 2.494 . . . . 0.0 116.002 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -80.0 25.28 0.38 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 129.34 3.056 . . . . 0.0 114.935 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.3 tp -161.08 27.53 0.14 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.615 1.166 . . . . 0.0 108.335 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -108.21 98.08 7.68 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 119.407 -2.058 . . . . 0.0 108.479 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -98.58 -70.44 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.947 0 CA-C-O 115.942 -1.98 . . . . 0.0 113.082 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.05 60.73 7.91 Favored 'Trans proline' 0 C--N 1.369 1.652 0 CA-C-N 127.301 3.643 . . . . 0.0 111.773 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -93.35 -22.55 18.88 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.58 2.352 . . . . 0.0 115.707 -171.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 72.54 -62.28 0.47 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.912 2.485 . . . . 0.0 115.706 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--N 1.356 0.872 0 C-N-CA 125.536 1.534 . . . . 0.0 108.852 -178.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.197 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -110.21 103.59 54.09 Favored Pre-proline 0 C--N 1.351 0.652 0 C-N-CA 126.43 1.892 . . . . 0.0 109.859 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -84.41 179.52 4.45 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.917 3.078 . . . . 0.0 112.443 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.2 -148.72 0.43 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.659 1.984 . . . . 0.0 106.903 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -84.24 67.01 9.62 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 119.469 -2.019 . . . . 0.0 108.663 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.28 3.28 48.76 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.406 2.283 . . . . 0.0 114.359 -172.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -36.19 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 1 C-N-CA 133.785 4.834 . . . . 0.0 120.124 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -99.98 -13.31 19.15 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.878 2.071 . . . . 0.0 111.065 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -49.41 -28.72 5.44 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 130.376 3.47 . . . . 0.0 116.822 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.12 -12.12 1.39 Allowed 'General case' 0 C--N 1.359 0.989 1 C-N-CA 131.748 4.019 . . . . 0.0 115.014 167.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 2.8 tt0 -46.89 -29.47 2.02 Favored 'General case' 0 C--N 1.376 1.735 1 C-N-CA 133.658 4.783 . . . . 0.0 118.101 -166.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.21 -36.45 84.12 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 125.895 1.678 . . . . 0.0 113.001 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -65.6 -46.39 79.51 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.5 ' CG2' ' HA ' ' A' ' 11' ' ' GLU . 9.8 t -77.7 -52.51 8.85 Favored 'General case' 0 CA--C 1.542 0.649 1 C-N-CA 134.858 5.263 . . . . 0.0 108.471 -178.222 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 38.51 -87.08 0.01 OUTLIER 'General case' 0 C--N 1.369 1.427 0 C-N-CA 131.136 3.774 . . . . 0.0 119.728 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.03 1.07 14.53 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.008 2.523 . . . . 0.0 112.866 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.29 0.0 OUTLIER -53.82 -33.39 55.98 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 128.467 2.707 . . . . 0.0 114.806 176.476 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -51.1 -16.88 0.53 Allowed 'General case' 0 C--N 1.374 1.659 1 C-N-CA 132.086 4.154 . . . . 0.0 114.688 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HG ' ' HB3' ' A' ' 100' ' ' GLN . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HZ1' ' HG3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CB ' ' CZ3' ' A' ' 98' ' ' TRP 0.589 0.3 OUTLIER -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HG3' ' HZ1' ' A' ' 39' ' ' LYS . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' HD1' HG21 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 HG21 ' HD1' ' A' ' 49' ' ' HIS 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 96' ' ' TRP . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -137.04 154.17 75.78 Favored Pre-proline 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -63.42 161.69 30.21 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 125.213 3.942 . . . . 0.0 117.646 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t 80.2 -176.86 0.07 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 128.11 2.564 . . . . 0.0 116.069 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.1 51.18 2.07 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.566 1.547 . . . . 0.0 109.894 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.6 m -74.03 -49.84 22.46 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.84 2.856 . . . . 0.0 115.007 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.3 152.62 39.9 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.35 62.45 0.71 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.156 2.182 . . . . 0.0 116.281 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -87.03 -28.33 22.67 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.337 2.255 . . . . 0.0 111.021 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.9 mt 74.48 -52.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 129.397 3.079 . . . . 0.0 113.249 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.288 15.1 tp 81.51 64.46 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 C-N-CA 130.769 3.628 . . . . 0.0 111.197 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 t -74.85 -28.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.649 1.98 . . . . 0.0 112.452 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.485 ' HB ' ' HZ2' ' A' ' 114' ' ' LYS 0.285 24.7 mm 84.66 118.64 0.03 OUTLIER Pre-proline 0 C--N 1.37 1.457 0 C-N-CA 130.847 3.659 . . . . 0.0 111.382 178.743 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.47 70.13 7.63 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 124.794 3.662 . . . . 0.0 111.885 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 m -177.66 174.4 1.51 Allowed 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.794 -2.669 . . . . 0.0 103.794 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.485 ' HZ2' ' HB ' ' A' ' 111' ' ' ILE . 7.5 mtmp? 73.23 -44.14 0.58 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 173.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -81.31 154.23 4.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 129.296 3.038 . . . . 0.0 114.12 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -83.13 118.5 23.62 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.032 2.533 . . . . 0.0 110.829 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.16 157.11 44.5 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 120.581 -1.325 . . . . 0.0 109.953 -177.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.39 -67.77 3.42 Favored Glycine 0 C--N 1.365 2.156 0 C-N-CA 127.422 2.439 . . . . 0.0 113.176 -175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -82.7 65.27 7.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 128.016 2.526 . . . . 0.0 112.911 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.99 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.107 1.763 . . . . 0.0 110.748 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.269 58.0 m-85 92.77 133.77 0.03 OUTLIER 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.782 3.233 . . . . 0.0 111.259 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -107.97 35.85 2.98 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 125.178 1.391 . . . . 0.0 111.442 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.45 60.81 1.64 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.406 2.282 . . . . 0.0 114.297 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -156.14 -47.31 0.08 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 129.241 3.016 . . . . 0.0 104.452 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -113.7 60.4 0.66 Allowed 'General case' 0 C--N 1.362 1.115 0 C-N-CA 127.05 2.14 . . . . 0.0 108.432 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -121.81 100.08 6.8 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.325 9.2 mp 90.11 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.355 0 C-N-CA 128.98 2.912 . . . . 0.0 109.642 -171.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -78.7 55.35 1.66 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.855 2.062 . . . . 0.0 112.676 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -103.55 153.36 38.65 Favored Pre-proline 0 C--N 1.348 0.515 0 C-N-CA 127.631 2.372 . . . . 0.0 107.405 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -76.55 98.87 1.24 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.085 3.19 . . . . 0.0 112.978 -174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -104.66 -150.13 0.42 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.037 1.735 . . . . 0.0 110.154 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -114.12 64.62 0.66 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.997 -1.689 . . . . 0.0 111.189 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.359 0.998 0 C-N-CA 125.47 1.508 . . . . 0.0 109.781 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.18 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -167.62 123.8 0.88 Allowed Pre-proline 0 C--N 1.353 0.733 0 CA-C-O 116.351 -1.785 . . . . 0.0 106.655 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -79.31 -177.19 3.7 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.746 3.631 . . . . 0.0 115.299 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.35 -22.6 59.15 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 118.564 2.801 . . . . 0.0 118.564 -175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.25 7.4 t80 98.13 4.3 0.02 OUTLIER 'General case' 0 C--N 1.354 0.785 0 C-N-CA 129.318 3.047 . . . . 0.0 110.058 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -87.58 28.57 0.97 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.897 2.879 . . . . 0.0 111.7 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -92.27 172.78 8.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 131.388 3.875 . . . . 0.0 111.491 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -80.05 -14.53 58.46 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 119.272 -2.142 . . . . 0.0 113.765 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.421 35.8 mtmm -67.14 -26.21 66.56 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 127.646 2.378 . . . . 0.0 115.587 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.303 9.5 pt-20 -56.0 -14.64 2.69 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.509 1.924 . . . . 0.0 115.674 171.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.83 -28.7 61.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.742 2.817 . . . . 0.0 113.619 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.03 -31.11 68.59 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 126.353 1.861 . . . . 0.0 113.18 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.11 -46.11 82.89 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 131.118 3.767 . . . . 0.0 119.354 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.254 8.8 t -72.18 -28.82 63.46 Favored 'General case' 0 N--CA 1.452 -0.341 1 C-N-CA 132.037 4.135 . . . . 0.0 113.466 -176.716 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.25 -14.97 61.95 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.687 2.395 . . . . 0.0 115.009 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -94.32 -8.39 39.1 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.813 2.445 . . . . 0.0 112.121 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.43 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 12.6 ttm -65.44 -50.59 64.86 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.379 2.672 . . . . 0.0 115.598 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 -51.81 -14.62 0.39 Allowed 'General case' 0 C--N 1.348 0.514 0 C-N-CA 131.167 3.787 . . . . 0.0 120.523 -168.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 17' ' ' MET . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 47.2 m-80 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' H ' ' A' ' 37' ' ' GLU 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 35' ' ' CYS . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 51' ' ' ARG 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 48' ' ' PRO 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HD3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HD3' ' HB2' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CZ2' HG22 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 HD11 ' A' ' 28' ' ' LEU 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.406 ' CE3' HG12 ' A' ' 99' ' ' ILE 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.406 HG12 ' CE3' ' A' ' 98' ' ' TRP 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.428 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? -90.18 124.22 63.77 Favored Pre-proline 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -71.17 129.01 15.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 CA-C-N 125.233 2.904 . . . . 0.0 117.557 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.312 1.5 t 72.59 -36.82 0.37 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 128.687 2.795 . . . . 0.0 117.983 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 68.5 -54.57 0.53 Allowed 'General case' 0 C--N 1.372 1.549 0 C-N-CA 128.247 2.619 . . . . 0.0 116.684 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.8 m -89.01 26.67 1.51 Allowed 'General case' 0 C--N 1.346 0.445 0 C-N-CA 130.322 3.449 . . . . 0.0 112.706 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.4 p -84.95 -36.0 21.69 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.142 2.577 . . . . 0.0 113.962 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 80.29 63.13 0.02 OUTLIER 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.3 3.04 . . . . 0.0 112.112 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -78.62 -36.49 44.02 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 -172.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 tp -52.02 -61.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 128.674 2.79 . . . . 0.0 117.841 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.04 128.57 0.73 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 177.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.0 -2.45 6.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.401 0 CA-C-O 124.285 1.993 . . . . 0.0 113.963 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.8 104.17 42.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.62 0.1 5.15 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.964 3.109 . . . . 0.0 112.89 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.337 84.6 p 89.34 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.364 1.238 0 C-N-CA 129.11 2.964 . . . . 0.0 113.985 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -158.26 -178.51 7.34 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.94 117.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.357 1.463 . . . . 0.0 108.664 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -80.17 60.96 3.84 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.65 1.98 . . . . 0.0 113.386 -176.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.276 21.6 mt-30 77.14 -44.05 0.44 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.993 2.517 . . . . 0.0 115.094 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.72 -54.09 0.04 OUTLIER Glycine 0 C--N 1.358 1.79 0 O-C-N 121.169 -0.957 . . . . 0.0 114.822 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.438 HE21 ' CE1' ' A' ' 122' ' ' HIS . 2.2 pp0? -118.12 -132.65 0.32 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -172.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -110.31 -99.27 0.4 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.068 1.747 . . . . 0.0 113.873 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -95.37 149.8 20.98 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.438 ' CE1' HE21 ' A' ' 119' ' ' GLN . 89.3 m-70 -139.92 43.94 1.93 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.119 2.168 . . . . 0.0 108.945 177.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -102.06 -70.96 0.73 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.275 1.43 . . . . 0.0 110.51 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -109.54 48.56 0.87 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.081 1.352 . . . . 0.0 109.643 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -136.08 125.63 25.24 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.018 1.327 . . . . 0.0 108.193 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -143.93 171.22 14.54 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.712 2.005 . . . . 0.0 106.196 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.1 tp -96.84 55.81 1.4 Allowed 'General case' 0 C--N 1.361 1.098 0 CA-C-O 123.05 1.405 . . . . 0.0 111.687 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.71 171.13 19.33 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 101.837 -3.394 . . . . 0.0 101.837 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -106.74 151.92 40.66 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-O 117.321 -1.323 . . . . 0.0 108.699 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.95 69.59 6.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 124.778 3.652 . . . . 0.0 114.037 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -164.41 171.66 14.42 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -89.71 60.16 4.95 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.55 1.94 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 -178.529 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -174.79 157.31 2.21 Favored Pre-proline 0 C--N 1.348 0.513 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -81.19 169.72 15.67 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.469 3.446 . . . . 0.0 114.272 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.05 -36.81 15.57 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.291 2.236 . . . . 0.0 114.48 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.258 17.0 t80 75.75 42.03 0.23 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 128.642 2.777 . . . . 0.0 113.901 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -95.56 71.38 3.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.774 2.226 . . . . 0.0 112.689 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -136.65 0.14 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.985 2.914 . . . . 0.0 112.777 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -99.93 -42.79 6.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.852 -1.78 . . . . 0.0 111.121 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.388 42.6 mttp -71.22 -28.36 64.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 120.572 3.545 . . . . 0.0 120.572 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -55.49 -15.09 2.39 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.65 -29.03 45.53 Favored 'General case' 0 C--N 1.36 1.025 1 C-N-CA 134.23 5.012 . . . . 0.0 113.206 172.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -71.6 -38.85 70.8 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.814 1.646 . . . . 0.0 112.367 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -58.19 -46.77 85.22 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 130.786 3.635 . . . . 0.0 119.867 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -69.57 -28.92 66.39 Favored 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 135.669 5.588 . . . . 0.0 110.219 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -87.79 136.98 32.72 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.586 2.754 . . . . 0.0 110.972 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 103.35 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.848 2.859 . . . . 0.0 108.456 -175.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -65.39 -36.07 82.86 Favored 'General case' 0 C--N 1.364 1.215 1 C-N-CA 133.119 4.568 . . . . 0.0 117.049 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -53.19 -17.33 1.6 Allowed 'General case' 0 C--N 1.37 1.468 1 C-N-CA 131.853 4.061 . . . . 0.0 117.539 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 48' ' ' PRO . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.407 ' CE2' HG21 ' A' ' 71' ' ' VAL . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.407 HG21 ' CE2' ' A' ' 67' ' ' TRP . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD2' HG21 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -138.09 103.92 8.09 Favored Pre-proline 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -67.3 144.59 68.84 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.335 3.356 . . . . 0.0 115.948 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.337 64.8 p 80.63 23.98 0.35 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 117.851 2.538 . . . . 0.0 117.851 173.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.13 61.88 0.63 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.354 85.3 p 97.45 -58.08 0.0 OUTLIER 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.071 3.348 . . . . 0.0 115.592 175.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.1 t -44.03 -61.29 1.51 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -149.32 150.8 33.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.336 . . . . 0.0 107.939 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.273 53.3 tptt 110.65 102.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.801 3.241 . . . . 0.0 112.26 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.73 89.43 2.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 125.854 1.662 . . . . 0.0 109.836 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.54 88.13 4.5 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -109.52 6.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 C-N-CA 127.625 2.37 . . . . 0.0 106.882 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.9 mm -111.63 121.08 40.92 Favored Pre-proline 0 C--N 1.359 0.98 0 C-N-CA 129.485 3.114 . . . . 0.0 105.628 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -82.8 164.94 15.74 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.921 3.081 . . . . 0.0 113.548 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -148.09 -89.36 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.125 0.97 . . . . 0.0 110.091 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -124.58 124.02 41.34 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.247 1.419 . . . . 0.0 108.931 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 m -95.21 -29.6 4.05 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 125.78 1.632 . . . . 0.0 114.299 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.7 m95 65.15 35.75 7.68 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.828 2.451 . . . . 0.0 115.024 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 83.33 -55.11 0.16 Allowed 'General case' 0 C--N 1.369 1.439 0 C-N-CA 129.312 3.045 . . . . 0.0 109.35 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.47 160.73 28.49 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 173.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -87.68 47.71 1.54 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 127.678 2.391 . . . . 0.0 112.836 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 76.43 46.62 0.09 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 127.459 2.304 . . . . 0.0 110.262 -171.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.262 81.5 m-85 74.83 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.37 1.494 0 C-N-CA 128.535 2.734 . . . . 0.0 111.145 -176.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -98.42 -14.98 19.83 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.806 1.642 . . . . 0.0 112.58 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.27 2.8 tt 81.82 122.34 0.04 OUTLIER 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.24 3.016 . . . . 0.0 110.642 -174.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -99.92 134.39 42.9 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 119.336 -2.102 . . . . 0.0 112.333 -175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.53 155.17 40.79 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.24 -14.51 20.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.857 1.263 . . . . 0.0 114.033 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt 65.53 -53.77 0.35 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.92 2.888 . . . . 0.0 117.214 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 81.93 -54.1 0.25 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 129.159 2.984 . . . . 0.0 112.391 -175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -97.19 120.03 62.01 Favored Pre-proline 0 C--N 1.358 0.957 0 C-N-CA 128.803 2.841 . . . . 0.0 107.685 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.48 110.42 2.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.418 3.412 . . . . 0.0 116.218 -167.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -131.85 57.15 1.78 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -79.12 65.33 4.27 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.359 2.264 . . . . 0.0 114.725 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.362 1.126 0 C-N-CA 128.555 2.742 . . . . 0.0 113.338 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 179.89 80.63 0.19 Allowed Pre-proline 0 C--N 1.345 0.402 0 C-N-CA 128.206 2.602 . . . . 0.0 107.559 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -80.78 -177.95 4.09 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.343 3.362 . . . . 0.0 113.962 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 82.38 161.94 0.14 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.594 2.758 . . . . 0.0 115.19 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -132.3 63.72 1.62 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.184 1.394 . . . . 0.0 107.862 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -85.66 48.25 1.56 Allowed 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.215 1.96 . . . . 0.0 112.225 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -107.87 166.73 10.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.065 3.346 . . . . 0.0 112.391 -175.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -20.13 65.9 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.648 2.779 . . . . 0.0 117.138 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.508 2.3 mptt -70.44 -25.41 63.19 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 130.231 3.413 . . . . 0.0 113.541 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 1.8 pt-20 -55.0 -14.69 1.59 Allowed 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.74 2.816 . . . . 0.0 115.128 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.84 -30.58 70.94 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.863 2.865 . . . . 0.0 113.304 168.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.81 -38.22 73.29 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.829 1.652 . . . . 0.0 111.641 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.03 -46.03 62.82 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.116 2.166 . . . . 0.0 116.241 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 73' ' ' PHE . 14.9 p -78.45 -52.9 7.87 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 128.418 2.687 . . . . 0.0 117.551 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -69.81 62.32 0.18 Allowed 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -170.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -166.11 -45.54 0.03 OUTLIER 'General case' 0 C--N 1.346 0.447 0 C-N-CA 127.562 2.345 . . . . 0.0 106.5 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 mtm -58.74 -35.1 72.17 Favored 'General case' 0 C--N 1.358 0.948 1 C-N-CA 132.119 4.167 . . . . 0.0 117.964 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 -63.86 -17.86 63.59 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 172.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.5 HG22 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HB3' ' HA ' ' A' ' 48' ' ' PRO 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.74 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' HG11 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -101.14 120.25 55.64 Favored Pre-proline 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -62.55 150.07 88.86 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.924 3.75 . . . . 0.0 114.263 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.389 52.0 p 82.01 -48.12 0.21 Allowed 'General case' 0 C--N 1.347 0.48 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 177.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -63.38 1.08 Allowed 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.701 3.2 . . . . 0.0 112.731 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.6 m -86.98 8.24 24.09 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.379 -1.45 . . . . 0.0 112.704 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.86 26.83 10.01 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.338 1.855 . . . . 0.0 109.003 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.44 121.68 44.28 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.275 45.4 tptt 79.66 4.63 2.07 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.316 2.246 . . . . 0.0 114.842 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.7 tp -91.85 163.38 2.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 119.882 -1.761 . . . . 0.0 110.648 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.59 -51.93 6.15 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.996 1.319 . . . . 0.0 113.069 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.279 21.4 t 81.42 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.227 0 C-N-CA 128.886 2.874 . . . . 0.0 108.157 -173.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.8 tt -166.37 136.24 2.59 Favored Pre-proline 0 C--N 1.354 0.766 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -84.11 -1.21 9.81 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 CA-C-N 125.434 2.976 . . . . 0.0 113.907 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.8 m -87.09 62.92 7.62 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.437 2.295 . . . . 0.0 112.037 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -111.81 95.68 5.63 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 125.875 1.67 . . . . 0.0 107.281 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.4 m -73.06 82.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.989 2.116 . . . . 0.0 116.326 -177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -90.71 -7.63 52.03 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.183 1.793 . . . . 0.0 112.992 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.45 126.31 22.98 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 129.495 3.118 . . . . 0.0 118.285 -172.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.83 -39.27 1.89 Allowed Glycine 0 C--N 1.36 1.884 0 C-N-CA 125.138 1.351 . . . . 0.0 112.417 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -121.88 114.05 20.49 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.995 1.318 . . . . 0.0 112.873 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.76 59.86 0.66 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.068 1.747 . . . . 0.0 111.674 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 54.88 -101.22 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.077 2.951 . . . . 0.0 118.578 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -148.9 37.92 0.81 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 123.86 0.864 . . . . 0.0 111.636 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.6 tp -115.2 -93.87 0.49 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.915 -1.116 . . . . 0.0 110.084 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.71 124.67 51.42 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.529 1.932 . . . . 0.0 107.285 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -144.9 168.1 21.06 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.272 77.0 mtt85 68.4 -98.41 0.04 OUTLIER 'General case' 0 C--N 1.365 1.255 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -145.96 82.22 1.61 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 69.66 -54.07 0.6 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.123 2.969 . . . . 0.0 115.456 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -98.07 132.13 25.2 Favored Pre-proline 0 C--N 1.356 0.849 0 C-N-CA 128.316 2.647 . . . . 0.0 107.057 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.6 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 124.597 3.531 . . . . 0.0 109.776 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.93 42.48 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 101.056 -3.683 . . . . 0.0 101.056 175.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -160.65 158.44 28.87 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.357 0.895 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HZ3' ' A' ' 67' ' ' TRP 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 25' ' ' ILE 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 22' ' ' VAL 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 36.4 m80 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' HIS . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' HG21 ' A' ' 27' ' ' VAL . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.479 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.566 ' CH2' HG21 ' A' ' 24' ' ' ILE . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HB2' HG11 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.406 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.488 ' CZ2' ' HB2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.372 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 . . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' CE ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 1.5 mp0 -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 64' ' ' LYS 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.552 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' LYS 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CG ' HG12 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 . . . . . 0 N--CA 1.471 0.609 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 . . . . . . . . . 2 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 81' ' ' VAL . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 96' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.547 ' C ' HG13 ' A' ' 81' ' ' VAL . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.544 ' HB2' HG22 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.549 HD13 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 41' ' ' LEU 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' HB ' ' HD3' ' A' ' 48' ' ' PRO . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 47' ' ' ILE 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.659 ' O ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.874 ' HB3' HG11 ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 45.4 t-80 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.655 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HZ3' HH12 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.705 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? . . . . . 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.442 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 55' ' ' ILE . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' H ' ' HD3' ' A' ' 60' ' ' ARG 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.633 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 HD13 ' A' ' 28' ' ' LEU . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.608 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 2.5 p-80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG12 ' NE2' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HA ' HD22 ' A' ' 54' ' ' LEU 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HA ' ' A' ' 51' ' ' ARG 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.635 ' O ' HD21 ' A' ' 54' ' ' LEU 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.633 ' CH2' HG21 ' A' ' 24' ' ' ILE . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.523 ' CB ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 22' ' ' VAL . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 27' ' ' VAL 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.751 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HA ' HD22 ' A' ' 41' ' ' LEU 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 35' ' ' CYS . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.64 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.64 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 1.8 p-80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.751 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.418 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' O ' HG23 ' A' ' 71' ' ' VAL . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 35' ' ' CYS . 18.6 tm0? . . . . . 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 . . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG12 ' HB1' ' A' ' 70' ' ' ALA . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 54' ' ' LEU 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG13 HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' NE2' ' HB2' ' A' ' 42' ' ' GLN . 19.5 t-80 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HA ' HD23 ' A' ' 41' ' ' LEU . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HB2' ' NE2' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.612 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.612 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.59 ' CH2' HG21 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' ALA 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG13 ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' THR . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CH2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 27' ' ' VAL 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.791 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.615 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.791 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 54' ' ' LEU 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' ARG 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 51' ' ' ARG 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.457 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.615 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 . . . . . 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 51' ' ' ARG 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.745 ' O ' HD22 ' A' ' 54' ' ' LEU 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 51' ' ' ARG 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HD2' ' A' ' 57' ' ' PRO . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 55' ' ' ILE . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 98' ' ' TRP . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.448 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.589 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.593 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.446 ' HB3' HH12 ' A' ' 51' ' ' ARG 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.62 HD12 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 35' ' ' CYS . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 32' ' ' ASN 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' ARG . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CE2' HG11 ' A' ' 95' ' ' VAL 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.62 HH11 HD12 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 51' ' ' ARG 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.583 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.525 ' H ' HD21 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.511 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 44' ' ' TYR 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' PRO . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.632 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 70' ' ' ALA 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 27' ' ' VAL 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 24' ' ' ILE 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 5.0 m-70 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.277 0.3 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.569 ' SD ' HG11 ' A' ' 81' ' ' VAL . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 48' ' ' PRO 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 54' ' ' LEU 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.545 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' TRP 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 67' ' ' TRP . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 . . . . . 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 27' ' ' VAL 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 74' ' ' LEU 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 24' ' ' ILE 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 4.5 p-80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.624 ' O ' HD22 ' A' ' 54' ' ' LEU 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.494 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.636 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.556 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD11 HG22 ' A' ' 25' ' ' ILE . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 96' ' ' TRP 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' HB3' HG11 ' A' ' 81' ' ' VAL 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 80' ' ' ARG 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 53' ' ' SER 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 2.6 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.502 ' HB3' HG11 ' A' ' 27' ' ' VAL . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 27' ' ' VAL 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.989 HG11 ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' ND2' ' CE2' ' A' ' 98' ' ' TRP . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' A' ' 31' ' ' HIS 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.989 ' HB3' HG11 ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 55' ' ' ILE . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.698 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.698 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' HG12 ' A' ' 21' ' ' VAL 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.601 HG13 ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 8.7 mm-40 . . . . . 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 27' ' ' VAL 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.889 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HB2' ' NE2' ' A' ' 100' ' ' GLN 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' HE ' ' A' ' 51' ' ' ARG 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.537 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.889 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.582 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' VAL . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 67' ' ' TRP . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 21' ' ' VAL . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.416 ' CH2' HG23 ' A' ' 47' ' ' ILE . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.518 ' NE1' ' NE2' ' A' ' 100' ' ' GLN 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.518 ' NE2' ' NE1' ' A' ' 98' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 24' ' ' ILE 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' ' HG2' ' A' ' 45' ' ' MET 0.589 1.9 tp60 -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.86 HG12 ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 45' ' ' MET . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.86 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 120.523 3.527 . . . . 0.0 120.523 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 12.4 m120 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.409 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.409 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.846 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 99' ' ' ILE 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? . . . . . 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 70' ' ' ALA 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 27' ' ' VAL 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 28' ' ' LEU 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' CYS 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.551 HG23 ' CE3' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CE3' HG23 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 50' ' ' VAL . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 27' ' ' VAL 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.704 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.622 ' CZ3' HG21 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.467 ' CG ' HG12 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -154.76 145.55 16.25 Favored Pre-proline 0 C--N 1.35 0.62 0 C-N-CA 126.161 1.785 . . . . 0.0 106.76 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.91 173.87 13.39 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.606 3.537 . . . . 0.0 112.081 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -87.36 -31.06 20.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 126.741 2.016 . . . . 0.0 115.464 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.341 24.7 t80 83.17 -63.08 0.11 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.592 2.757 . . . . 0.0 111.988 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 61.57 89.21 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 131.668 3.987 . . . . 0.0 116.529 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -126.63 -155.26 0.68 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.922 2.089 . . . . 0.0 108.883 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -73.82 -36.37 64.96 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 119.001 -2.312 . . . . 0.0 116.588 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.383 38.4 mtpt -72.43 -29.26 63.55 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 118.283 2.697 . . . . 0.0 118.283 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -55.86 -17.29 6.0 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.29 -31.3 70.65 Favored 'General case' 0 C--N 1.365 1.273 1 C-N-CA 133.246 4.618 . . . . 0.0 113.108 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.01 -32.33 73.49 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.484 1.914 . . . . 0.0 113.328 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -66.48 -46.23 77.0 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.473 2.309 . . . . 0.0 114.367 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 p -75.79 -29.35 58.71 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.741 3.616 . . . . 0.0 113.85 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -64.63 103.15 0.64 Allowed 'General case' 0 CA--C 1.558 1.287 0 O-C-N 119.287 -2.133 . . . . 0.0 116.656 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 133.68 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.371 1.529 1 C-N-CA 132.159 4.184 . . . . 0.0 107.301 -177.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.278 20.2 mtm -69.83 -32.83 71.46 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 130.08 3.352 . . . . 0.0 115.598 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -51.68 -17.01 0.75 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HZ3' ' A' ' 67' ' ' TRP 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 25' ' ' ILE 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 22' ' ' VAL 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 36.4 m80 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' HIS . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' HG21 ' A' ' 27' ' ' VAL . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.479 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.566 ' CH2' HG21 ' A' ' 24' ' ' ILE . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HB2' HG11 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.406 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.488 ' CZ2' ' HB2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.29 107.12 30.16 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -70.18 144.51 51.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 124.421 3.414 . . . . 0.0 114.743 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.317 53.8 p 82.04 161.48 0.14 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.653 1.981 . . . . 0.0 114.588 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . 0.264 . . 60.72 -35.0 0.08 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.979 3.326 . . . . 0.0 119.979 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.5 m -91.1 -44.25 9.39 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 111.324 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.79 82.58 8.37 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.126 2.171 . . . . 0.0 111.972 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -132.58 140.33 48.21 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -156.76 167.53 30.17 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.3 mm -120.65 137.38 54.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 C-N-CA 127.049 2.139 . . . . 0.0 106.185 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -153.53 0.44 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.712 2.005 . . . . 0.0 110.931 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.88 -34.76 72.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.492 1.917 . . . . 0.0 116.144 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.7 tp -113.26 102.22 54.51 Favored Pre-proline 0 C--N 1.355 0.812 0 C-N-CA 126.026 1.73 . . . . 0.0 108.181 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.98 85.24 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.035 1 C-N-CA 126.068 4.512 . . . . 0.0 113.811 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 m -91.1 69.19 6.18 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.664 2.386 . . . . 0.0 113.035 -171.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.32 168.76 26.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.47 1.508 . . . . 0.0 108.507 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.3 p -120.28 149.28 23.06 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 126.25 1.82 . . . . 0.0 106.531 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -12.62 -66.01 0.01 OUTLIER 'General case' 0 C--N 1.366 1.291 1 C-N-CA 133.852 4.861 . . . . 0.0 121.263 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -134.84 143.36 46.98 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.758 -1.214 . . . . 0.0 108.875 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.69 -58.31 0.31 Allowed Glycine 0 C--N 1.351 1.397 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -81.74 -94.99 0.05 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 127.296 2.238 . . . . 0.0 114.456 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.62 -121.76 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.805 1.242 . . . . 0.0 113.702 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -144.17 170.03 16.74 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.854 2.061 . . . . 0.0 105.693 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -144.85 132.49 21.0 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 tp 75.79 -60.06 0.5 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.3 2.64 . . . . 0.0 113.607 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.23 135.8 33.17 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.847 2.459 . . . . 0.0 110.319 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 71.8 66.1 0.14 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 126.735 2.014 . . . . 0.0 113.989 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.65 72.89 5.19 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.835 1.654 . . . . 0.0 114.924 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.0 -161.77 0.85 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.158 2.583 . . . . 0.0 107.027 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -108.61 172.2 6.98 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -56.36 30.75 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 128.165 2.586 . . . . 0.0 115.18 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.98 149.62 37.03 Favored 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 124.257 3.305 . . . . 0.0 110.831 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -131.49 -175.04 3.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.909 -1.745 . . . . 0.0 109.005 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.5 63.11 0.16 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.745 2.418 . . . . 0.0 117.481 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 . . . . . 0 C--N 1.361 1.08 0 C-N-CA 130.043 3.337 . . . . 0.0 112.299 -179.26 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.199 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -154.58 143.58 14.89 Favored Pre-proline 0 C--N 1.349 0.573 0 C-N-CA 126.32 1.848 . . . . 0.0 106.781 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.06 177.53 8.56 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.473 3.448 . . . . 0.0 111.749 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -102.28 165.27 11.22 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.773 1.273 . . . . 0.0 111.964 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -90.31 79.55 6.32 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.028 1.731 . . . . 0.0 106.616 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -96.05 44.94 1.07 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.367 1.867 . . . . 0.0 115.857 -168.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -95.51 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 132.974 4.51 . . . . 0.0 116.553 178.548 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -80.85 -13.01 59.32 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.034 2.934 . . . . 0.0 110.912 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.27 -26.14 67.96 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.994 3.318 . . . . 0.0 112.343 169.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.19 -14.28 1.08 Allowed 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.567 2.347 . . . . 0.0 116.196 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 131.187 3.795 . . . . 0.0 113.49 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.77 -35.87 62.56 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 126.488 1.915 . . . . 0.0 111.924 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -70.33 -31.78 69.22 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.235 2.614 . . . . 0.0 117.087 173.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.382 1.4 p -79.5 -52.98 7.33 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -172.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 22.27 -126.45 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.365 1 N-CA-C 121.892 4.034 . . . . 0.0 121.892 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.14 23.66 1.05 Allowed 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 117.629 -3.169 . . . . 0.0 110.006 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.69 4.33 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -177.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER -76.8 -62.73 1.54 Allowed 'General case' 0 C--N 1.362 1.127 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 -170.614 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' CE ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 1.5 mp0 -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 64' ' ' LYS 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.552 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' LYS 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CG ' HG12 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 98.83 4.64 Favored Pre-proline 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -68.73 129.69 19.19 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 124.219 3.279 . . . . 0.0 116.146 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t 63.21 30.27 15.9 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.744 2.018 . . . . 0.0 115.153 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.57 -69.68 0.17 Allowed 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.351 2.66 . . . . 0.0 113.832 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 m -118.69 6.46 11.59 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 111.66 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.254 68.6 m 74.72 -62.36 0.46 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.461 2.304 . . . . 0.0 115.427 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -152.25 -38.95 0.11 Allowed 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.7 1.2 . . . . 0.0 111.974 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -104.06 119.96 40.06 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.028 1.331 . . . . 0.0 111.392 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.302 42.0 mm 85.82 137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.392 2.277 . . . . 0.0 110.881 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 109' ' ' LEU . 2.4 pt? -88.78 -169.18 2.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.668 1.587 . . . . 0.0 113.792 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.08 97.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 127.625 2.37 . . . . 0.0 108.191 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.67 113.13 61.78 Favored Pre-proline 0 C--N 1.357 0.934 0 CA-C-O 116.594 -1.67 . . . . 0.0 108.071 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.43 -80.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 124.003 3.135 . . . . 0.0 110.071 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.6 m 140.35 -49.98 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 131.226 3.81 . . . . 0.0 106.441 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -159.41 178.93 9.4 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 102.707 -3.072 . . . . 0.0 102.707 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.7 m -96.45 -18.95 6.33 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.794 1.637 . . . . 0.0 112.219 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 54.06 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.618 3.167 . . . . 0.0 117.486 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -120.18 8.22 10.89 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.407 2.283 . . . . 0.0 111.164 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.11 59.75 0.04 OUTLIER Glycine 0 C--N 1.366 2.248 0 N-CA-C 121.107 3.203 . . . . 0.0 121.107 -172.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -125.87 -12.96 6.45 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.439 -1.624 . . . . 0.0 114.339 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.25 52.97 0.18 Allowed 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.784 -1.822 . . . . 0.0 115.6 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -168.12 -52.37 0.02 OUTLIER 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.832 2.453 . . . . 0.0 108.685 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -102.85 120.8 41.25 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 120.05 -1.656 . . . . 0.0 111.719 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.268 78.7 mt 75.42 -51.09 0.65 Allowed 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.2 1.8 . . . . 0.0 114.869 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.51 47.68 0.13 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 127.421 2.289 . . . . 0.0 114.936 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -123.84 -42.62 2.17 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 129.061 2.944 . . . . 0.0 105.449 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 2.57 1.04 Allowed 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.423 -0.798 . . . . 0.0 112.798 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 67.5 mt -135.88 162.87 31.6 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 120.012 -1.68 . . . . 0.0 109.133 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . 0.279 52.4 mt-10 86.15 138.63 0.05 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.753 2.821 . . . . 0.0 113.953 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -112.76 -48.89 0.06 OUTLIER Pre-proline 0 C--N 1.36 1.064 0 CA-C-O 116.002 -1.951 . . . . 0.0 116.115 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.04 -30.53 1.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 0 CA-C-N 125.912 3.147 . . . . 0.0 114.402 -174.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 80.07 84.26 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 128.682 2.793 . . . . 0.0 114.351 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -151.57 138.5 19.02 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.646 -1.612 . . . . 0.0 106.646 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.358 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.316 -177.264 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.174 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -175.9 160.13 1.94 Allowed Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 127.426 2.29 . . . . 0.0 105.403 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -78.84 -152.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 125.035 3.823 . . . . 0.0 114.673 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.6 145.7 24.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.903 1.281 . . . . 0.0 112.898 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -125.42 45.34 2.61 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.956 1.302 . . . . 0.0 110.37 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.95 18.9 1.49 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.782 2.433 . . . . 0.0 114.456 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.38 176.5 6.54 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 131.277 3.831 . . . . 0.0 113.643 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -80.1 -19.32 47.68 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.771 2.028 . . . . 0.0 113.093 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.417 83.0 mttt -71.16 -27.43 63.54 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 118.81 2.893 . . . . 0.0 118.81 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.03 -27.52 45.09 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.56 -33.61 74.38 Favored 'General case' 0 C--N 1.36 1.05 1 C-N-CA 133.797 4.839 . . . . 0.0 113.518 171.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.42 -37.63 65.33 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 128.31 2.644 . . . . 0.0 114.098 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.88 -25.35 67.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 129.078 2.951 . . . . 0.0 117.127 167.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.528 16.3 p -79.34 -28.35 42.07 Favored 'General case' 0 C--N 1.363 1.172 1 N-CA-C 123.261 4.541 . . . . 0.0 123.261 -169.776 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.8 58.31 0.0 OUTLIER 'General case' 0 C--N 1.365 1.248 0 N-CA-C 120.256 3.428 . . . . 0.0 120.256 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.35 84.5 mm-40 57.5 -20.35 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 2 N-CA-C 123.078 4.473 . . . . 0.0 123.078 174.931 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.66 98.84 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 -175.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 -75.75 -62.43 1.59 Allowed 'General case' 0 C--N 1.365 1.245 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 -168.667 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 81' ' ' VAL . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 96' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' C ' HG13 ' A' ' 81' ' ' VAL . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.544 ' HB2' HG22 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -74.08 114.0 28.79 Favored Pre-proline 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -59.6 129.43 30.92 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.893 3.062 . . . . 0.0 117.098 -168.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.262 5.1 t 74.48 -1.47 3.07 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.698 1.999 . . . . 0.0 116.122 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 70.02 -43.93 0.55 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 129.377 3.071 . . . . 0.0 118.306 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.275 8.7 t 95.5 4.58 0.03 OUTLIER 'General case' 0 C--N 1.359 0.989 0 C-N-CA 129.271 3.028 . . . . 0.0 111.8 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.2 t 75.25 -52.78 0.66 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.185 2.594 . . . . 0.0 116.566 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.28 96.63 9.07 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.743 2.017 . . . . 0.0 112.102 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -159.05 -165.54 1.64 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 106.604 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.89 179.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 127.509 2.324 . . . . 0.0 105.152 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.54 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -97.63 -168.29 1.66 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 110.869 177.522 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.266 4.3 p -79.45 4.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.238 0 N-CA-C 117.237 2.31 . . . . 0.0 117.237 -173.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.95 93.1 43.62 Favored Pre-proline 0 C--N 1.35 0.63 0 O-C-N 119.646 -1.909 . . . . 0.0 107.538 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.8 -25.25 6.49 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.329 3.353 . . . . 0.0 112.771 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.54 -56.52 0.51 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 128.787 2.835 . . . . 0.0 116.313 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -105.46 78.44 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.598 1.959 . . . . 0.0 109.645 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.21 -4.69 6.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 C-N-CA 126.008 1.723 . . . . 0.0 114.423 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -135.52 137.13 41.78 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -102.17 25.52 8.75 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 125.985 1.714 . . . . 0.0 111.352 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.37 -21.13 73.62 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 126.809 2.147 . . . . 0.0 114.752 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -85.66 -3.73 58.96 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 128.641 2.776 . . . . 0.0 113.734 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.71 71.57 1.36 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 120.326 -1.484 . . . . 0.0 113.009 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -97.85 26.44 5.15 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.196 1.398 . . . . 0.0 111.293 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.58 165.67 12.22 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.626 2.771 . . . . 0.0 104.542 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.15 -161.37 0.17 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 74.05 -55.99 0.65 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 128.816 2.846 . . . . 0.0 116.929 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -103.86 124.29 48.68 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 125.517 1.527 . . . . 0.0 112.366 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -87.98 29.99 0.88 Allowed 'General case' 0 C--N 1.363 1.19 0 C-N-CA 125.786 1.635 . . . . 0.0 114.466 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.36 79.61 1.77 Allowed 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.105 1.762 . . . . 0.0 107.57 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -123.29 42.28 3.25 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 69.53 55.91 0.53 Allowed Pre-proline 0 C--N 1.358 0.975 0 C-N-CA 130.097 3.359 . . . . 0.0 114.647 -175.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.17 59.13 3.63 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.092 3.195 . . . . 0.0 109.946 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -127.81 90.28 3.08 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.228 1.011 . . . . 0.0 109.507 -174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -147.11 145.73 29.7 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 125.216 1.407 . . . . 0.0 107.409 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.289 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -156.01 144.26 14.43 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.201 1.8 . . . . 0.0 106.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 175.06 11.07 Favored 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 124.429 3.419 . . . . 0.0 111.935 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -91.52 -22.9 20.13 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.239 1.815 . . . . 0.0 114.791 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.449 2.4 p90 61.77 16.24 7.7 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.545 3.538 . . . . 0.0 117.808 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -66.47 47.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.768 1 C-N-CA 131.784 4.034 . . . . 0.0 118.999 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -160.63 0.66 Allowed 'General case' 0 N--CA 1.432 -1.359 1 C-N-CA 133.303 4.641 . . . . 0.0 112.388 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.82 -57.97 10.4 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 131.269 3.828 . . . . 0.0 119.176 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.401 48.0 mttp -71.54 -29.03 64.3 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -176.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.23 -15.05 5.04 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.373 2.669 . . . . 0.0 115.503 174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.49 -28.98 70.03 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.312 3.045 . . . . 0.0 113.126 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.11 -34.97 66.48 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.971 -1.705 . . . . 0.0 112.48 175.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -73.16 -46.8 48.77 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 128.415 2.686 . . . . 0.0 115.397 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -78.75 -36.4 43.18 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.686 3.194 . . . . 0.0 115.0 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? 21.11 -63.53 0.0 OUTLIER 'General case' 0 C--N 1.361 1.074 2 C-N-CA 134.294 5.038 . . . . 0.0 121.862 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -83.81 1.51 42.69 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.806 1.643 . . . . 0.0 114.904 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.509 1.524 . . . . 0.0 112.197 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -63.03 -17.45 62.24 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.524 2.73 . . . . 0.0 115.515 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.549 HD13 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 41' ' ' LEU 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' HB ' ' HD3' ' A' ' 48' ' ' PRO . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 47' ' ' ILE 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.659 ' O ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.874 ' HB3' HG11 ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 45.4 t-80 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.655 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HZ3' HH12 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.705 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? -97.58 104.94 22.98 Favored Pre-proline 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -75.69 135.22 17.6 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 124.28 3.32 . . . . 0.0 113.085 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t 78.0 45.86 0.07 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.724 1.609 . . . . 0.0 114.982 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.26 -49.71 32.83 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.361 83.9 p 91.72 -112.62 0.0 OUTLIER 'General case' 0 C--N 1.368 1.385 0 C-N-CA 128.763 2.825 . . . . 0.0 113.571 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.15 -101.75 0.39 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.513 1.925 . . . . 0.0 108.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -169.66 150.63 4.09 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -126.03 40.59 3.7 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.105 . . . . 0.0 109.034 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.269 61.4 mt 84.56 98.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 128.215 2.606 . . . . 0.0 111.174 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 109' ' ' LEU 0.279 0.0 OUTLIER -58.82 43.9 0.0 OUTLIER 'General case' 0 C--N 1.361 1.082 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -176.07 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.347 10.0 t 70.09 80.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.038 0 C-N-CA 129.946 3.299 . . . . 0.0 115.084 175.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.4 mt -107.61 137.25 19.65 Favored Pre-proline 0 C--N 1.354 0.791 0 N-CA-C 103.31 -2.848 . . . . 0.0 103.31 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.72 -31.89 34.31 Favored 'Trans proline' 0 C--N 1.372 1.807 1 C-N-CA 126.286 4.657 . . . . 0.0 118.48 -169.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m 71.07 69.27 0.17 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.631 2.372 . . . . 0.0 114.928 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.95 88.84 5.89 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.728 2.011 . . . . 0.0 112.856 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.19 171.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -113.71 108.17 16.76 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 173.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -90.17 -22.53 21.67 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.136 1.375 . . . . 0.0 111.552 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.8 -46.78 1.12 Allowed Glycine 0 C--N 1.357 1.702 0 C-N-CA 126.216 1.865 . . . . 0.0 112.829 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -77.9 -10.26 59.48 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.003 2.121 . . . . 0.0 116.518 -176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 53.76 0.61 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -100.98 -58.18 1.94 Allowed 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.463 1.905 . . . . 0.0 107.574 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -122.82 18.7 10.22 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.304 1.442 . . . . 0.0 109.437 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 71.82 -59.9 0.54 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.207 3.003 . . . . 0.0 114.749 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 52.3 m-20 90.17 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 130.618 3.567 . . . . 0.0 107.932 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -166.13 105.14 0.66 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.4 ptt85 -61.75 40.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.087 0 C-N-CA 130.484 3.514 . . . . 0.0 119.804 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.5 pp -110.03 23.37 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 119.641 -1.912 . . . . 0.0 111.679 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -132.84 -66.95 0.65 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 128.282 2.633 . . . . 0.0 106.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -121.7 97.16 46.78 Favored Pre-proline 0 C--N 1.357 0.919 0 C-N-CA 124.929 1.292 . . . . 0.0 107.871 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -82.58 -82.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 124.518 3.479 . . . . 0.0 110.533 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -119.81 91.61 3.59 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.397 1.079 . . . . 0.0 108.114 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 74.63 -37.41 0.35 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.465 2.306 . . . . 0.0 117.11 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--N 1.363 1.184 0 C-N-CA 128.991 2.917 . . . . 0.0 114.797 178.291 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -172.41 154.16 3.08 Favored Pre-proline 0 C--N 1.345 0.378 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -78.64 161.53 27.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.329 3.352 . . . . 0.0 113.921 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 64.53 -53.95 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 129.222 3.009 . . . . 0.0 117.372 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.5 t80 79.03 66.68 0.03 OUTLIER 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.645 3.178 . . . . 0.0 108.772 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -92.15 29.53 1.62 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.74 2.416 . . . . 0.0 115.964 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -81.4 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 130.987 3.715 . . . . 0.0 117.9 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -99.67 -12.67 19.82 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 127.758 2.423 . . . . 0.0 109.146 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.292 99.4 mttt -49.22 -27.35 3.59 Favored 'General case' 0 C--N 1.369 1.433 0 N-CA-C 118.856 2.909 . . . . 0.0 118.856 -174.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.85 -14.72 2.57 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.265 2.226 . . . . 0.0 115.097 168.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -28.66 68.61 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 130.554 3.542 . . . . 0.0 112.468 166.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.34 -43.3 64.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 126.047 1.739 . . . . 0.0 112.192 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.2 -38.06 85.22 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 128.085 2.554 . . . . 0.0 116.135 171.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 16.4 p -79.13 -29.11 42.98 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 130.237 3.415 . . . . 0.0 115.313 174.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -40.84 127.17 2.57 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.946 3.698 . . . . 0.0 117.616 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.462 HE22 ' HB3' ' A' ' 20' ' ' MET . 1.1 tm0? 122.02 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 130.99 3.716 . . . . 0.0 105.596 -174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.8 ttm -49.93 -42.95 49.5 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.378 3.871 . . . . 0.0 113.588 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -66.86 -17.29 64.82 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 128.773 2.829 . . . . 0.0 113.666 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.462 ' HB3' HE22 ' A' ' 16' ' ' GLN 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.514 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 104' ' ' SER . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.442 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 55' ' ' ILE . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' H ' ' HD3' ' A' ' 60' ' ' ARG 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -146.85 153.37 46.05 Favored Pre-proline 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.34 158.59 54.35 Favored 'Trans proline' 0 C--N 1.378 2.128 1 C-N-CA 126.409 4.739 . . . . 0.0 117.846 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.306 5.6 t 84.56 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.759 2.424 . . . . 0.0 114.86 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -144.86 69.93 1.26 Allowed 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.369 -1.457 . . . . 0.0 112.975 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' ASN . 1.7 m -95.46 -136.22 0.22 Allowed 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.022 -1.049 . . . . 0.0 111.924 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.6 p -156.37 174.66 15.08 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 119.786 -1.822 . . . . 0.0 107.689 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.09 143.74 29.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.943 1.697 . . . . 0.0 106.773 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -113.98 -0.03 14.21 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.754 1.622 . . . . 0.0 112.762 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.335 46.9 mt 86.36 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 131.151 3.78 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.89 -58.32 3.35 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.257 45.7 t 85.88 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 130.191 3.396 . . . . 0.0 107.838 -169.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 111' ' ' ILE . 1.3 mp -65.64 120.81 71.52 Favored Pre-proline 0 C--N 1.367 1.328 0 C-N-CA 128.55 2.74 . . . . 0.0 114.642 -175.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.65 73.74 5.87 Favored 'Trans proline' 0 CA--C 1.552 1.386 0 C-N-CA 124.776 3.651 . . . . 0.0 113.557 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -157.64 -173.65 4.49 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.426 1.49 . . . . 0.0 107.027 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -136.91 -172.7 3.25 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.581 1.953 . . . . 0.0 107.569 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.98 170.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -155.87 -151.13 0.32 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -87.5 -29.67 21.19 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.816 2.446 . . . . 0.0 111.925 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.85 -142.38 11.83 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 104.469 -3.452 . . . . 0.0 104.469 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.27 141.82 48.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.183 2.593 . . . . 0.0 104.368 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.57 174.53 5.84 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.763 -1.211 . . . . 0.0 113.14 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -149.9 82.68 1.39 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.137 1.775 . . . . 0.0 106.995 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -130.45 71.77 1.47 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -95.43 57.81 1.99 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.697 1.999 . . . . 0.0 115.027 -171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -142.42 129.03 20.3 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -83.99 52.28 2.26 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -136.17 -79.45 0.41 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 127.366 2.267 . . . . 0.0 106.763 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.0 tp -95.54 128.1 42.12 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.98 1.712 . . . . 0.0 111.288 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.5 168.95 18.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.76 -1.213 . . . . 0.0 108.81 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 75.52 72.45 0.21 Allowed Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 129.412 3.085 . . . . 0.0 115.118 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -76.16 56.97 5.11 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 125.073 3.849 . . . . 0.0 111.105 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -146.66 -49.97 0.2 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 129.664 3.186 . . . . 0.0 103.454 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.68 -40.51 6.95 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 124.902 1.281 . . . . 0.0 112.544 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.369 1.437 0 C-N-CA 127.861 2.464 . . . . 0.0 115.366 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -173.38 154.91 2.62 Favored Pre-proline 0 C--N 1.35 0.594 0 C-N-CA 126.686 1.995 . . . . 0.0 106.095 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -81.23 -175.95 2.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 124.737 3.625 . . . . 0.0 114.657 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -155.37 160.02 40.37 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 124.553 1.141 . . . . 0.0 108.129 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.69 50.35 1.27 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -76.66 -28.39 55.97 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.249 2.22 . . . . 0.0 114.448 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.81 175.49 5.53 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.932 2.093 . . . . 0.0 110.226 173.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -98.89 -13.71 19.9 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.622 -1.923 . . . . 0.0 113.112 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.414 77.8 mttt -54.94 -27.38 43.08 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 119.326 3.084 . . . . 0.0 119.326 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.91 -14.75 6.77 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.136 1.775 . . . . 0.0 115.69 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -69.8 -28.15 65.48 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.496 3.118 . . . . 0.0 112.301 166.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.6 -38.85 86.02 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-N 120.877 1.671 . . . . 0.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -57.25 -37.9 73.01 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.865 2.866 . . . . 0.0 116.253 168.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HB ' ' HE2' ' A' ' 17' ' ' MET . 21.3 p -78.83 -45.52 20.66 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 129.538 3.135 . . . . 0.0 113.158 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.288 3.1 mmp_? 75.78 1.55 3.56 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.373 2.269 . . . . 0.0 113.612 -171.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.307 5.9 tt0 89.24 90.98 0.02 OUTLIER 'General case' 0 C--N 1.361 1.092 0 C-N-CA 130.252 3.421 . . . . 0.0 114.833 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' HG22 ' A' ' 21' ' ' VAL . 11.4 ptp -71.71 -49.13 42.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -52.94 -18.27 1.87 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 131.41 3.884 . . . . 0.0 120.243 -167.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 17' ' ' MET 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.633 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 HD13 ' A' ' 28' ' ' LEU . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.608 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.608 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 2.5 p-80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG12 ' NE2' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HA ' HD22 ' A' ' 54' ' ' LEU 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HA ' ' A' ' 51' ' ' ARG 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.635 ' O ' HD21 ' A' ' 54' ' ' LEU 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.633 ' CH2' HG21 ' A' ' 24' ' ' ILE . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 17' ' ' MET . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.523 ' CB ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -113.15 104.64 55.76 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -64.69 147.94 90.07 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 125.074 3.85 . . . . 0.0 115.895 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.347 53.1 p 88.78 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 126.964 2.105 . . . . 0.0 112.399 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 120.09 134.79 0.0 OUTLIER 'General case' 0 C--N 1.362 1.115 0 C-N-CA 131.073 3.749 . . . . 0.0 111.39 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m -111.69 7.54 20.41 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 124.29 1.036 . . . . 0.0 112.609 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.262 4.9 t 71.1 -53.53 0.68 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 128.864 2.866 . . . . 0.0 116.039 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -116.33 -168.69 1.48 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.377 1.471 . . . . 0.0 109.304 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -120.96 127.39 51.77 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.233 -2.167 . . . . 0.0 105.186 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.7 tp -79.42 -41.09 22.22 Favored 'Isoleucine or valine' 0 C--N 1.366 1.292 0 C-N-CA 125.131 1.372 . . . . 0.0 112.87 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.8 mt 75.03 145.3 0.08 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 128.654 2.782 . . . . 0.0 116.802 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.1 p -112.95 4.49 8.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 123.645 1.688 . . . . 0.0 109.065 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.66 135.78 27.41 Favored Pre-proline 0 C--N 1.36 1.022 0 C-N-CA 128.802 2.841 . . . . 0.0 105.981 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 52.8 3.7 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 124.813 3.675 . . . . 0.0 113.901 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 56.1 p -104.49 68.75 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 126.984 2.114 . . . . 0.0 113.968 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -112.21 112.29 23.79 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 115' ' ' VAL . 15.1 t -45.82 -33.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 131.385 3.874 . . . . 0.0 117.684 -173.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -116.07 26.9 9.61 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.163 2.185 . . . . 0.0 111.715 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.335 64.1 mt-30 80.52 -47.43 0.29 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.127 2.571 . . . . 0.0 115.768 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -139.09 169.12 24.59 Favored Glycine 0 C--N 1.355 1.633 0 O-C-N 120.514 -1.366 . . . . 0.0 111.469 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.14 162.18 39.38 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.4 -178.69 5.4 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 126.277 1.831 . . . . 0.0 107.736 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -77.27 62.28 2.29 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 115.761 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 124' ' ' ASP . 16.2 t-80 -163.54 130.63 3.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.386 1.875 . . . . 0.0 108.311 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.54 18.83 18.07 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.977 1.311 . . . . 0.0 111.664 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.47 ' HA ' ' CE1' ' A' ' 122' ' ' HIS 0.253 42.3 m-20 74.69 57.7 0.07 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.74 2.016 . . . . 0.0 111.987 -177.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 92.2 mtm180 -90.67 64.76 5.76 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.835 1.654 . . . . 0.0 113.371 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -148.6 127.91 12.99 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.442 1.097 . . . . 0.0 108.055 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.72 -60.97 0.5 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.744 2.418 . . . . 0.0 117.407 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.35 87.85 0.63 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -109.48 95.95 21.04 Favored Pre-proline 0 C--N 1.356 0.885 0 C-N-CA 125.94 1.696 . . . . 0.0 109.857 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.97 70.48 7.03 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.464 3.443 . . . . 0.0 110.582 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.18 55.79 0.32 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 129.463 3.105 . . . . 0.0 116.865 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.52 88.34 3.83 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.641 1.976 . . . . 0.0 108.506 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.362 1.147 0 C-N-CA 127.536 2.334 . . . . 0.0 113.522 -178.243 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -173.38 154.7 2.58 Favored Pre-proline 0 C--N 1.349 0.562 0 C-N-CA 126.832 2.053 . . . . 0.0 105.812 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -80.41 -178.69 4.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 124.318 3.345 . . . . 0.0 114.783 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.89 -49.64 3.18 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.037 1.335 . . . . 0.0 110.369 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 78.87 11.74 1.49 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 129.244 3.018 . . . . 0.0 114.974 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -80.89 26.85 0.4 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 114.184 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.19 -158.97 0.68 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 131.419 3.888 . . . . 0.0 116.116 -172.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -55.47 -35.2 65.26 Favored 'General case' 0 C--N 1.362 1.13 1 C-N-CA 133.076 4.55 . . . . 0.0 119.716 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.384 30.1 mmtp -70.15 -26.91 64.15 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 119.987 -1.696 . . . . 0.0 114.574 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.7 -14.64 2.35 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.45 2.7 . . . . 0.0 115.924 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -67.35 -29.49 69.05 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 130.387 3.475 . . . . 0.0 113.092 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.36 -38.9 68.42 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 126.187 1.795 . . . . 0.0 111.589 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.19 -43.44 78.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.69 2.796 . . . . 0.0 114.776 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.359 22.2 p -77.78 -28.81 50.61 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.164 2.986 . . . . 0.0 115.034 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.269 17.5 ttm180 70.96 -116.08 0.09 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 121.386 3.847 . . . . 0.0 121.386 165.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -127.87 15.12 6.91 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.335 1.854 . . . . 0.0 108.928 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtt -66.03 -43.45 87.52 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 129.977 3.311 . . . . 0.0 113.56 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER -54.7 -16.15 2.32 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.071 2.948 . . . . 0.0 116.817 170.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 22' ' ' VAL . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 27' ' ' VAL 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.751 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HA ' HD22 ' A' ' 41' ' ' LEU 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 35' ' ' CYS . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.64 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.64 ' CG ' ' HB3' ' A' ' 45' ' ' MET . 1.8 p-80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.751 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.418 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' O ' HG23 ' A' ' 71' ' ' VAL . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 35' ' ' CYS . 18.6 tm0? -75.28 142.61 75.4 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -63.45 129.08 24.15 Favored 'Trans proline' 0 C--N 1.371 1.747 0 CA-C-N 125.643 3.051 . . . . 0.0 116.173 -167.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t 80.98 2.21 1.68 Allowed 'General case' 0 C--N 1.36 1.027 0 C-N-CA 126.737 2.015 . . . . 0.0 112.85 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.61 57.33 2.77 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 127.43 2.292 . . . . 0.0 114.454 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.264 95.5 p 89.93 -19.92 0.16 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.06 3.344 . . . . 0.0 114.04 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.273 7.8 t 98.84 4.4 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 129.42 3.088 . . . . 0.0 111.368 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t70 70.23 -50.28 0.65 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.132 2.973 . . . . 0.0 116.849 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -80.82 -0.62 39.59 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 129.24 3.016 . . . . 0.0 114.66 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.9 mm -116.18 36.22 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -75.08 46.13 0.3 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.421 2.688 . . . . 0.0 115.243 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.318 6.6 t 76.78 42.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.24 0 C-N-CA 128.929 2.892 . . . . 0.0 110.407 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.22 133.32 24.83 Favored Pre-proline 0 C--N 1.355 0.808 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 67.98 6.42 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 124.156 3.237 . . . . 0.0 114.432 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t 33.89 83.06 0.02 OUTLIER 'General case' 0 C--N 1.36 1.031 1 C-N-CA 131.886 4.074 . . . . 0.0 120.641 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.69 30.19 1.07 Allowed 'General case' 0 C--N 1.367 1.329 0 CA-C-O 123.873 1.797 . . . . 0.0 112.219 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.91 117.31 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 131.583 3.953 . . . . 0.0 100.559 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -143.85 142.22 30.72 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.112 -0.993 . . . . 0.0 109.114 -173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -87.85 -21.47 25.0 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.665 3.186 . . . . 0.0 115.961 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 113.82 -54.36 0.56 Allowed Glycine 0 C--N 1.362 2.0 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . 0.304 5.7 tp60 72.97 74.47 0.14 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 130.211 3.404 . . . . 0.0 117.451 173.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.44 -150.86 0.45 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.586 1.954 . . . . 0.0 107.962 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -83.99 69.07 10.25 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.969 -1.707 . . . . 0.0 112.592 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -144.93 147.03 32.26 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.352 2.261 . . . . 0.0 105.135 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.9 tp -123.46 40.68 3.66 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 122.979 1.371 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 13.1 t70 66.38 -57.41 0.37 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 129.367 3.067 . . . . 0.0 118.397 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.72 147.09 23.48 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.676 1.99 . . . . 0.0 112.806 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.76 -174.21 2.37 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.7 mt 80.79 96.35 0.05 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.533 2.333 . . . . 0.0 113.738 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.52 38.1 2.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.819 0.847 . . . . 0.0 109.519 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -165.36 -53.5 0.01 OUTLIER Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 116.579 -1.677 . . . . 0.0 113.145 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -94.62 -95.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 CA-C-N 125.549 3.018 . . . . 0.0 110.405 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -85.0 86.35 7.4 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.401 1.88 . . . . 0.0 110.166 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 103.42 136.67 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 131.003 3.721 . . . . 0.0 108.353 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 C--N 1.359 1.006 0 O-C-N 120.991 -1.068 . . . . 0.0 109.326 176.777 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.128 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -174.1 161.57 2.94 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -78.35 -171.89 1.35 Allowed 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 125.055 3.837 . . . . 0.0 116.124 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 92.8 167.35 0.03 OUTLIER 'General case' 0 C--N 1.37 1.461 0 C-N-CA 129.015 2.926 . . . . 0.0 113.418 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -85.54 57.52 4.51 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.022 2.129 . . . . 0.0 110.41 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -89.49 -20.57 23.68 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.068 2.547 . . . . 0.0 112.811 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.54 176.1 5.26 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.141 2.176 . . . . 0.0 112.038 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -99.31 -13.57 19.59 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.482 1.913 . . . . 0.0 114.104 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.38 22.0 mmmt -56.48 -28.19 59.08 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 117.7 2.482 . . . . 0.0 117.7 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -55.96 -14.75 2.72 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.789 2.435 . . . . 0.0 115.195 171.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 128.951 2.9 . . . . 0.0 113.815 166.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.09 -38.47 78.98 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 119.961 1.255 . . . . 0.0 113.46 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -59.56 -40.09 86.15 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 128.467 2.707 . . . . 0.0 115.808 173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.355 25.3 p -76.69 -25.81 54.06 Favored 'General case' 0 CA--C 1.49 -1.353 1 C-N-CA 137.603 6.361 . . . . 0.0 114.887 177.682 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -67.36 -16.05 64.03 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.106 -0.996 . . . . 0.0 112.542 165.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.06 131.72 53.0 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.905 2.082 . . . . 0.0 111.714 172.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.488 35.4 mmt -70.35 -31.22 68.4 Favored 'General case' 0 C--O 1.216 -0.679 2 C-N-CA 136.148 5.779 . . . . 0.0 123.322 -172.607 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -48.77 -16.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 -165.214 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG12 ' HB1' ' A' ' 70' ' ' ALA . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 54' ' ' LEU 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG13 HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' NE2' ' HB2' ' A' ' 42' ' ' GLN . 19.5 t-80 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HA ' HD23 ' A' ' 41' ' ' LEU . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.497 ' HB2' ' NE2' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.612 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.612 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.59 ' CH2' HG21 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' ALA 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG13 ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' THR . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CH2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -127.43 110.51 21.08 Favored Pre-proline 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -70.71 164.23 36.22 Favored 'Trans proline' 0 C--N 1.363 1.317 1 C-N-CA 125.823 4.349 . . . . 0.0 117.927 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.5 t -2.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.364 1.238 2 C-N-CA 133.974 4.909 . . . . 0.0 122.095 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.47 93.21 0.01 OUTLIER 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.482 2.713 . . . . 0.0 116.611 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.2 p -163.41 -130.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.541 -169.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.1 m -106.05 33.28 3.89 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 126.803 2.041 . . . . 0.0 112.569 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -100.73 11.4 39.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 128.261 2.624 . . . . 0.0 112.152 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -76.99 78.93 3.53 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.951 1.7 . . . . 0.0 114.495 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.301 79.9 mt 115.74 118.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.149 1 C-N-CA 133.676 4.79 . . . . 0.0 107.742 -178.991 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.71 79.78 1.29 Allowed 'General case' 0 C--N 1.366 1.306 0 CA-C-O 122.489 1.138 . . . . 0.0 111.831 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.4 t -103.99 116.28 47.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 C-N-CA 125.641 1.577 . . . . 0.0 107.405 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.639 ' H ' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.1 147.72 35.33 Favored Pre-proline 0 C--N 1.355 0.839 0 C-N-CA 127.198 2.199 . . . . 0.0 110.736 -177.267 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -80.88 56.65 6.18 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 124.719 3.613 . . . . 0.0 112.765 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -177.14 -171.47 0.35 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.604 2.362 . . . . 0.0 106.174 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 84.49 24.45 0.1 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 130.317 3.447 . . . . 0.0 111.316 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.4 m -82.32 -33.33 11.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 130.605 3.562 . . . . 0.0 115.882 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 79.23 31.31 0.29 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.186 2.194 . . . . 0.0 116.538 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -86.05 63.52 8.07 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 128.106 2.562 . . . . 0.0 111.677 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.52 45.67 0.81 Allowed Glycine 0 C--N 1.354 1.562 0 N-CA-C 105.892 -2.883 . . . . 0.0 105.892 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.0 -49.8 4.01 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 128.491 2.716 . . . . 0.0 112.776 -174.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.9 174.02 10.97 Favored 'General case' 0 C--N 1.361 1.109 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.5 62.73 1.93 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 128.42 2.688 . . . . 0.0 116.176 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 71.49 -45.4 0.62 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 129.143 2.977 . . . . 0.0 117.619 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.267 3.8 mm? 82.14 48.34 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.504 3.122 . . . . 0.0 111.673 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.17 125.53 53.53 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.903 1.281 . . . . 0.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.44 HH21 ' HB2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -89.63 -70.09 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.926 1.691 . . . . 0.0 112.441 -176.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -131.62 73.54 1.54 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.371 1.468 . . . . 0.0 110.37 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.5 mt 67.32 -59.96 0.39 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 119.909 3.299 . . . . 0.0 119.909 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.74 136.66 36.97 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.741 1.616 . . . . 0.0 112.631 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.426 ' HA ' HH22 ' A' ' 125' ' ' ARG . 45.1 ttt180 -96.66 -57.55 0.19 Allowed Pre-proline 0 C--N 1.367 1.342 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.08 55.6 5.39 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 124.819 3.679 . . . . 0.0 114.319 -173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -58.46 0.77 Allowed 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 128.425 2.69 . . . . 0.0 104.561 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.44 ' HB2' HH21 ' A' ' 125' ' ' ARG . 46.7 mtt85 -101.34 -30.23 11.6 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.901 1.28 . . . . 0.0 112.929 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.363 1.157 0 O-C-N 120.568 -1.333 . . . . 0.0 110.187 -176.24 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.458 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.287 79.9 p 79.08 64.92 0.19 Allowed Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 130.146 3.378 . . . . 0.0 113.802 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.67 171.6 7.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 123.675 2.917 . . . . 0.0 112.779 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 63.43 -117.1 0.49 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.491 2.316 . . . . 0.0 116.066 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.8 22.93 11.36 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.471 1.508 . . . . 0.0 108.661 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.67 21.84 6.93 Favored 'General case' 0 C--N 1.366 1.316 0 O-C-N 120.221 -1.549 . . . . 0.0 110.965 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.69 153.13 19.34 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 130.373 3.469 . . . . 0.0 109.334 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -20.63 64.1 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 118.895 -2.378 . . . . 0.0 115.065 -177.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -52.91 -27.65 19.66 Favored 'General case' 0 C--N 1.36 1.022 1 C-N-CA 132.923 4.489 . . . . 0.0 114.888 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.49 -14.46 1.27 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.965 3.306 . . . . 0.0 113.696 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.8 -28.94 66.45 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 128.874 2.869 . . . . 0.0 113.582 167.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.28 -44.37 79.47 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 125.539 1.536 . . . . 0.0 111.654 172.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -69.58 -46.27 66.73 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 170.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.447 ' HB ' ' HE2' ' A' ' 17' ' ' MET . 72.3 p -78.74 -50.77 10.81 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 130.661 3.585 . . . . 0.0 115.447 -177.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.316 42.1 mmt180 76.52 173.35 0.23 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 129.007 2.923 . . . . 0.0 117.685 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -63.81 30.44 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.159 3.384 . . . . 0.0 119.153 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.447 ' HE2' ' HB ' ' A' ' 14' ' ' THR 0.316 0.0 OUTLIER -71.12 -33.39 70.08 Favored 'General case' 0 C--N 1.354 0.795 1 C-N-CA 132.309 4.243 . . . . 0.0 118.294 177.858 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.28 -18.15 0.89 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.284 3.434 . . . . 0.0 119.369 -166.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 27' ' ' VAL 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.791 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.615 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.791 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 54' ' ' LEU 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' ARG 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 51' ' ' ARG 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.457 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.615 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 -116.37 153.55 48.77 Favored Pre-proline 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -66.47 157.69 59.23 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 124.431 3.421 . . . . 0.0 116.269 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t 87.75 83.89 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.126 2.97 . . . . 0.0 113.909 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -173.48 -175.62 1.17 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.277 7.7 t 93.56 11.27 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.268 2.627 . . . . 0.0 114.665 176.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 62.0 m -75.17 67.38 1.8 Allowed 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.81 2.044 . . . . 0.0 114.969 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -139.59 121.34 15.39 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 72.92 -59.05 0.58 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.936 2.494 . . . . 0.0 114.467 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.294 42.5 mm 88.98 133.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 130.545 3.538 . . . . 0.0 110.014 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 56.7 0.83 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.578 2.351 . . . . 0.0 113.99 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.59 -29.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.567 2.747 . . . . 0.0 113.979 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.4 pt -112.5 116.36 48.43 Favored Pre-proline 0 C--N 1.354 0.776 0 C-N-CA 126.296 1.838 . . . . 0.0 107.545 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.85 -3.7 12.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 124.204 3.27 . . . . 0.0 113.926 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.4 m -169.04 146.29 3.64 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -169.61 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-O 123.182 1.468 . . . . 0.0 107.115 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -151.11 167.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 101.874 -3.38 . . . . 0.0 101.874 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -104.52 162.49 13.2 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.154 1.781 . . . . 0.0 110.584 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -87.55 143.13 27.36 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 128.227 2.611 . . . . 0.0 111.748 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 136.13 -38.68 1.74 Allowed Glycine 0 C--N 1.36 1.863 0 C-N-CA 124.074 0.845 . . . . 0.0 112.365 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -85.29 83.6 7.93 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.957 1.703 . . . . 0.0 114.386 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . 0.307 . . 109.94 -20.84 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 129.121 2.968 . . . . 0.0 114.806 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -79.39 77.98 5.91 Favored 'General case' 0 C--N 1.364 1.233 0 O-C-N 119.603 -1.935 . . . . 0.0 112.806 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.19 18.37 18.7 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.548 1.539 . . . . 0.0 111.984 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.272 3.4 mm? 72.76 85.56 0.12 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 129.293 3.037 . . . . 0.0 114.774 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.73 61.1 2.93 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.288 1.835 . . . . 0.0 114.403 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -113.9 4.47 15.83 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.899 1.679 . . . . 0.0 110.126 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -72.11 74.84 0.95 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 128.238 2.615 . . . . 0.0 114.81 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.269 74.2 mt 84.41 49.05 0.01 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.899 3.28 . . . . 0.0 111.323 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.55 95.66 3.95 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.062 1.745 . . . . 0.0 113.896 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 67.27 57.06 0.83 Allowed Pre-proline 0 C--N 1.355 0.82 0 N-CA-C 119.822 3.268 . . . . 0.0 119.822 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.63 58.23 5.32 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 124.024 3.15 . . . . 0.0 109.737 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 73.51 -33.78 0.27 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 129.238 3.015 . . . . 0.0 115.824 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -99.03 162.84 12.85 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.964 2.505 . . . . 0.0 111.013 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 . . . . . 0 C--N 1.36 1.06 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -176.651 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.162 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -118.07 91.77 40.78 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.811 2.044 . . . . 0.0 111.023 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -77.52 -170.6 0.97 Allowed 'Trans proline' 0 C--N 1.368 1.591 1 C-N-CA 125.302 4.001 . . . . 0.0 114.65 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -86.06 -27.89 24.45 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.702 1.601 . . . . 0.0 113.78 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.35 37.7 t80 94.79 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 130.999 3.72 . . . . 0.0 110.385 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.344 0.0 OUTLIER 37.53 84.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.654 1 C-N-CA 134.003 4.921 . . . . 0.0 118.018 175.929 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -127.43 -160.29 1.0 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 127.349 2.26 . . . . 0.0 110.21 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -14.47 1.46 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.783 3.633 . . . . 0.0 120.073 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -29.21 64.74 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 118.992 -2.317 . . . . 0.0 114.444 171.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.67 -14.25 3.11 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 128.451 2.7 . . . . 0.0 115.269 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -68.88 -30.29 68.75 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 131.336 3.854 . . . . 0.0 112.815 168.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.57 -39.5 62.21 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.573 1.949 . . . . 0.0 110.65 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.2 -36.71 82.3 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.758 2.423 . . . . 0.0 115.035 170.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.481 17.9 p -78.09 -27.33 48.45 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 130.872 3.669 . . . . 0.0 116.28 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -77.64 26.92 0.17 Allowed 'General case' 0 C--N 1.373 1.597 0 O-C-N 119.738 -1.851 . . . . 0.0 113.938 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -148.62 135.64 20.05 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.269 3.427 . . . . 0.0 106.23 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 1.02 12.0 mmt -70.21 -29.68 66.59 Favored 'General case' 0 C--N 1.36 1.024 2 N-CA-C 123.937 4.791 . . . . 0.0 123.937 -176.27 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -16.15 0.09 Allowed 'General case' 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 -162.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 51' ' ' ARG 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.745 ' O ' HD22 ' A' ' 54' ' ' LEU 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 51' ' ' ARG 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HD2' ' A' ' 57' ' ' PRO . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 55' ' ' ILE . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 98' ' ' TRP . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.448 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.589 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.593 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -140.14 155.39 70.56 Favored Pre-proline 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -66.44 160.04 47.57 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 125.227 3.952 . . . . 0.0 118.391 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.321 2.8 t 91.05 -7.41 0.27 Allowed 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.625 3.17 . . . . 0.0 116.289 172.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.91 82.83 0.0 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 131.556 3.942 . . . . 0.0 116.621 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.0 t 93.43 18.11 0.02 OUTLIER 'General case' 0 C--N 1.371 1.52 0 C-N-CA 129.007 2.923 . . . . 0.0 109.158 -175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 76.8 m 78.87 -51.45 0.45 Allowed 'General case' 0 C--N 1.379 1.869 0 C-N-CA 128.207 2.603 . . . . 0.0 112.702 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . 0.45 2.7 p30 75.6 25.72 1.18 Allowed 'General case' 0 C--N 1.36 1.037 1 C-N-CA 132.02 4.128 . . . . 0.0 114.927 178.023 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -93.18 -43.08 9.02 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.138 1.775 . . . . 0.0 113.344 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.0 tt -154.32 172.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 tp -120.85 134.15 55.3 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.97 32.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 125.187 1.395 . . . . 0.0 112.197 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -114.38 102.85 55.09 Favored Pre-proline 0 C--N 1.359 1.002 0 C-N-CA 126.525 1.93 . . . . 0.0 107.855 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.68 -94.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.912 3.741 . . . . 0.0 111.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p -151.54 -66.73 0.18 Allowed 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -121.35 -147.36 0.39 Allowed 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.448 2.299 . . . . 0.0 106.569 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.4 76.77 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.092 1.757 . . . . 0.0 113.457 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.274 1.9 m0 70.75 51.18 0.33 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.675 3.59 . . . . 0.0 117.764 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.25 95.91 6.04 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.258 1.823 . . . . 0.0 112.352 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.89 17.87 33.91 Favored Glycine 0 C--N 1.362 2.01 0 N-CA-C 118.062 1.985 . . . . 0.0 118.062 169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -105.89 175.25 5.56 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 123.356 1.55 . . . . 0.0 114.225 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -111.06 -176.34 2.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.793 1.637 . . . . 0.0 109.683 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -141.83 45.93 1.68 Allowed 'General case' 0 C--N 1.362 1.117 0 CA-C-O 122.627 1.203 . . . . 0.0 108.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -70.19 58.51 0.17 Allowed 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.723 3.209 . . . . 0.0 113.788 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.8 tp -153.94 -43.46 0.09 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 128.694 2.798 . . . . 0.0 106.877 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.253 30.8 m-20 73.25 13.24 4.74 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.704 2.402 . . . . 0.0 116.833 174.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -74.66 56.38 0.7 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 128.221 2.609 . . . . 0.0 114.903 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -98.52 -30.97 12.21 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.203 2.201 . . . . 0.0 111.997 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 tp 80.99 42.44 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.421 2.688 . . . . 0.0 111.43 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' H ' HH21 ' A' ' 132' ' ' ARG . 5.5 tm-20 -79.49 -27.8 41.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.959 2.903 . . . . 0.0 114.82 -174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -101.3 136.96 19.55 Favored Pre-proline 0 C--N 1.357 0.907 0 O-C-N 120.487 -1.383 . . . . 0.0 108.828 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.58 -17.4 29.98 Favored 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 124.944 3.763 . . . . 0.0 112.905 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -81.93 3.27 26.97 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.809 2.444 . . . . 0.0 113.563 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.432 HH21 ' H ' ' A' ' 128' ' ' GLU . 71.6 mtm180 -113.26 4.4 16.44 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.198 1.399 . . . . 0.0 110.811 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.362 1.131 0 C-N-CA 126.907 2.083 . . . . 0.0 111.101 -178.558 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.363 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.306 79.4 p 77.81 67.96 0.2 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 130.052 3.341 . . . . 0.0 114.003 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.67 171.94 12.8 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.4 3.4 . . . . 0.0 112.658 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.87 -40.23 13.26 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.019 1.728 . . . . 0.0 114.298 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 65.53 34.26 8.04 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.207 3.003 . . . . 0.0 115.565 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -75.39 47.26 0.37 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 119.28 -2.138 . . . . 0.0 115.674 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -120.48 166.84 13.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.339 2.256 . . . . 0.0 113.538 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -14.27 61.85 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.998 2.519 . . . . 0.0 115.554 -177.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.4 35.3 mtmm -70.49 -25.68 63.26 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 130.529 3.532 . . . . 0.0 112.749 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.05 -14.46 1.56 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 129.654 3.182 . . . . 0.0 115.438 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.17 -32.33 72.07 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.975 2.91 . . . . 0.0 114.247 168.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.8 -41.67 59.55 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 119.889 1.222 . . . . 0.0 111.911 175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.65 -46.21 91.18 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.523 3.129 . . . . 0.0 115.36 171.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 p -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.754 2.822 . . . . 0.0 115.333 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.324 52.6 mtm180 83.45 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.886 2.874 . . . . 0.0 111.493 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -85.15 43.67 1.03 Allowed 'General case' 0 C--N 1.364 1.205 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 ptp -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.154 1.381 . . . . 0.0 114.019 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -52.72 -16.05 0.87 Allowed 'General case' 0 C--N 1.359 1.016 1 C-N-CA 132.74 4.416 . . . . 0.0 117.15 -177.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.446 ' HB3' HH12 ' A' ' 51' ' ' ARG 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.62 HD12 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 35' ' ' CYS . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 32' ' ' ASN 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' ARG . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CE2' HG11 ' A' ' 95' ' ' VAL 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.62 HH11 HD12 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 51' ' ' ARG 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.583 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.525 ' H ' HD21 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.511 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 44' ' ' TYR 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' PRO . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.632 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -118.89 120.26 31.56 Favored Pre-proline 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -67.61 130.17 21.55 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.993 2.462 . . . . 0.0 117.134 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.376 36.8 p 84.42 170.53 0.08 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 128.438 2.695 . . . . 0.0 116.981 171.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.33 65.91 1.37 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.463 1.505 . . . . 0.0 107.296 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t 79.15 -31.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 128.27 2.628 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.28 -173.75 4.52 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.945 2.898 . . . . 0.0 113.301 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -93.24 -174.56 3.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 125.912 1.685 . . . . 0.0 113.626 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 78.34 80.22 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 128.157 2.583 . . . . 0.0 112.146 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.9 mm -81.66 67.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 125.361 1.464 . . . . 0.0 112.65 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 tp -104.33 128.75 52.19 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.083 2.153 . . . . 0.0 106.567 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.01 -42.2 85.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 126.767 2.027 . . . . 0.0 115.973 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.8 mm 72.16 78.65 0.2 Allowed Pre-proline 0 C--N 1.367 1.34 0 C-N-CA 127.601 2.361 . . . . 0.0 110.314 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.97 149.76 9.58 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.402 2.735 . . . . 0.0 113.026 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -82.15 -16.67 49.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.213 1.805 . . . . 0.0 114.015 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 69.36 -48.3 0.6 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.5 2.72 . . . . 0.0 116.862 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.21 158.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -90.89 68.69 6.33 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 119.28 -2.137 . . . . 0.0 111.482 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.51 46.7 2.45 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.462 1.505 . . . . 0.0 108.252 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.95 -24.03 7.88 Favored Glycine 0 C--N 1.361 1.967 0 C-N-CA 125.968 1.746 . . . . 0.0 112.191 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -89.22 165.43 14.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 129.703 3.201 . . . . 0.0 112.871 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.72 134.76 47.81 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.719 -1.238 . . . . 0.0 109.236 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -133.59 150.37 51.63 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.7 t60 71.18 -43.77 0.57 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.386 2.275 . . . . 0.0 116.489 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.29 53.68 0.05 Allowed 'General case' 0 C--N 1.359 1.0 0 C-N-CA 130.194 3.397 . . . . 0.0 116.622 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.7 64.0 5.32 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.669 2.387 . . . . 0.0 112.768 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -105.22 -39.27 6.25 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.562 2.345 . . . . 0.0 110.611 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -99.0 20.23 13.66 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.344 1.857 . . . . 0.0 112.705 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.42 156.31 31.97 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.42 174.44 14.37 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -130.04 155.54 80.53 Favored Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 124.262 1.025 . . . . 0.0 109.006 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.74 130.04 10.36 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 124.533 3.488 . . . . 0.0 112.036 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -144.63 109.07 4.86 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . 0.259 75.7 mtp180 74.07 -51.36 0.69 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.255 2.222 . . . . 0.0 115.052 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--N 1.355 0.834 0 C-N-CA 127.251 2.221 . . . . 0.0 107.26 177.701 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.311 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -106.87 110.31 63.57 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 126.773 2.029 . . . . 0.0 108.661 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -62.45 -52.9 2.16 Favored 'Trans proline' 0 C--N 1.362 1.277 1 C-N-CA 125.593 4.195 . . . . 0.0 117.535 -176.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 70.99 -162.2 0.14 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 131.408 3.883 . . . . 0.0 112.902 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.14 8.77 42.58 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.724 -1.86 . . . . 0.0 109.147 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -98.23 43.99 1.05 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.369 3.467 . . . . 0.0 110.22 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -106.03 173.47 6.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.401 2.681 . . . . 0.0 113.626 -174.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -67.51 -25.2 65.73 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 128.112 2.565 . . . . 0.0 114.801 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.464 34.7 mtmm -70.92 -27.22 63.61 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 127.952 2.501 . . . . 0.0 116.622 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -55.59 -16.39 3.96 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.421 2.288 . . . . 0.0 115.067 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -76.32 -32.93 58.98 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.314 3.445 . . . . 0.0 113.472 170.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.57 -38.97 62.53 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 126.427 1.891 . . . . 0.0 111.465 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.255 13.1 tp10 -63.6 -46.56 85.21 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 121.719 3.97 . . . . 0.0 121.719 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 t -67.87 -42.98 80.44 Favored 'General case' 0 N--CA 1.451 -0.375 1 C-N-CA 134.761 5.225 . . . . 0.0 117.713 -171.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.301 32.4 mmt180 8.06 -63.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 2 N-CA-C 122.447 4.24 . . . . 0.0 122.447 -177.754 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -136.0 5.87 3.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 110.841 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.276 1.9 mpp? -71.04 -34.53 71.35 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.712 2.805 . . . . 0.0 117.291 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -66.54 -18.59 65.45 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 129.642 3.177 . . . . 0.0 115.389 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 70' ' ' ALA 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 27' ' ' VAL 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 24' ' ' ILE 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 5.0 m-70 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.426 HD21 ' HE3' ' A' ' 114' ' ' LYS . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.277 0.3 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.569 ' SD ' HG11 ' A' ' 81' ' ' VAL . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 48' ' ' PRO 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 54' ' ' LEU 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.545 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' TRP 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 67' ' ' TRP . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 -112.35 114.56 50.48 Favored Pre-proline 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -74.37 165.26 32.2 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 125.024 3.816 . . . . 0.0 114.912 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -44.63 40.99 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.715 1 C-N-CA 133.253 4.621 . . . . 0.0 120.856 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 57.37 0.65 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.51 2.724 . . . . 0.0 115.409 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -96.8 -6.98 34.82 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 129.622 3.169 . . . . 0.0 111.606 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 14.9 t -111.59 -29.1 7.87 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 126.24 1.816 . . . . 0.0 109.597 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -123.95 55.05 1.29 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.572 1.949 . . . . 0.0 107.047 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 170.48 16.41 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.519 3.127 . . . . 0.0 113.871 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.6 tp -73.94 -40.14 52.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 126.729 2.012 . . . . 0.0 114.49 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.0 OUTLIER 159.42 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 129.883 3.273 . . . . 0.0 110.425 178.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.352 71.3 t 91.3 107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 129.451 3.1 . . . . 0.0 109.69 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 80.4 mt -85.2 138.57 36.62 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 126.947 2.099 . . . . 0.0 109.395 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -74.82 171.76 17.62 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 124.28 3.32 . . . . 0.0 112.38 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.328 82.6 p 95.48 11.19 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.883 2.473 . . . . 0.0 113.419 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 38' ' ' ASN . 35.4 mmtm -72.4 70.08 0.86 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.447 2.299 . . . . 0.0 113.954 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.478 19.7 m 72.73 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.467 1 C-N-CA 134.629 5.172 . . . . 0.0 113.686 -173.811 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -117.09 -36.09 3.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.548 -1.97 . . . . 0.0 110.286 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.313 0.0 OUTLIER 98.55 142.71 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 128.463 2.705 . . . . 0.0 107.845 -176.105 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.36 52.39 3.78 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.731 1.634 . . . . 0.0 112.033 -172.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -153.67 132.23 12.17 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.703 -0.881 . . . . 0.0 112.073 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.36 -2.62 56.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.631 1.972 . . . . 0.0 112.588 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -114.86 110.76 20.17 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 129.002 2.921 . . . . 0.0 104.406 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.22 165.17 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 122.773 1.273 . . . . 0.0 113.585 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.4 mp -134.34 177.02 8.08 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 102.378 -3.194 . . . . 0.0 102.378 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -86.53 146.05 26.53 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 120.529 1.513 . . . . 0.0 111.019 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -90.94 65.1 5.6 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -115.76 113.65 23.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.137 1.775 . . . . 0.0 107.804 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.72 130.2 37.79 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -92.47 120.61 33.12 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.079 0.952 . . . . 0.0 112.255 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -96.6 126.2 44.22 Favored Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 125.627 1.571 . . . . 0.0 111.706 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.02 3.88 7.5 Favored 'Trans proline' 0 CA--C 1.55 1.314 0 C-N-CA 124.692 3.595 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -124.49 42.22 3.31 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.908 2.483 . . . . 0.0 107.934 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -83.83 105.83 15.04 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.599 1.96 . . . . 0.0 113.101 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.353 0.733 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 179.604 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.153 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -174.14 147.64 1.27 Allowed Pre-proline 0 C--N 1.351 0.639 0 C-N-CA 126.333 1.853 . . . . 0.0 106.281 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -83.8 178.99 5.08 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.44 3.426 . . . . 0.0 113.867 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 5' ' ' PHE . 4.7 pt-20 -155.5 -79.69 0.09 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 124.541 1.137 . . . . 0.0 111.956 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.414 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 76.3 m-85 67.06 76.53 0.29 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 129.899 3.28 . . . . 0.0 115.7 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -120.07 0.09 10.66 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.457 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -128.17 167.88 16.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.334 2.654 . . . . 0.0 106.812 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 p -102.61 -63.02 1.2 Allowed 'General case' 0 C--N 1.368 1.378 1 N-CA-C 121.91 4.041 . . . . 0.0 121.91 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -73.26 -30.17 63.26 Favored 'General case' 0 CA--C 1.473 -1.997 0 N-CA-C 119.112 3.005 . . . . 0.0 119.112 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.496 10.0 mt-10 -61.3 -12.75 14.81 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.59 -29.07 70.37 Favored 'General case' 0 C--N 1.376 1.753 1 C-N-CA 133.679 4.792 . . . . 0.0 113.333 169.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.03 -45.06 44.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.416 1.886 . . . . 0.0 113.054 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.73 -46.69 88.55 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 130.971 3.708 . . . . 0.0 119.492 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.584 ' HB ' ' CD1' ' A' ' 73' ' ' PHE . 15.3 t -63.1 -29.38 70.76 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 133.763 4.825 . . . . 0.0 114.534 -176.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -79.92 145.46 32.64 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.602 1.561 . . . . 0.0 115.197 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.322 64.3 mm-40 82.46 -27.95 0.11 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.38 3.072 . . . . 0.0 113.693 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HB2' HH12 ' A' ' 69' ' ' ARG . 4.3 tmm? -49.87 -35.19 22.46 Favored 'General case' 0 C--N 1.366 1.302 1 C-N-CA 135.437 5.495 . . . . 0.0 113.861 174.42 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -53.41 -16.65 1.49 Allowed 'General case' 0 C--N 1.366 1.316 1 C-N-CA 133.137 4.575 . . . . 0.0 116.995 173.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 27' ' ' VAL 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 74' ' ' LEU 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 24' ' ' ILE 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 35' ' ' CYS . 4.5 p-80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.624 ' O ' HD22 ' A' ' 54' ' ' LEU 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.494 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.636 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.556 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 HH12 ' HB2' ' A' ' 17' ' ' MET . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' ' HB ' ' A' ' 14' ' ' THR 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD11 HG22 ' A' ' 25' ' ' ILE . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 96' ' ' TRP 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' HB3' HG11 ' A' ' 81' ' ' VAL 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 80' ' ' ARG 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -109.71 101.11 45.39 Favored Pre-proline 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -67.27 130.13 21.91 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 125.233 3.955 . . . . 0.0 114.279 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.26 5.6 t 101.49 -179.12 0.0 OUTLIER 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.911 2.484 . . . . 0.0 111.937 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.04 69.07 1.43 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.28 75.7 m 65.98 -134.11 0.19 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.557 2.343 . . . . 0.0 112.317 -170.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.2 p -151.59 -69.69 0.17 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -115.94 81.24 1.57 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -88.52 -35.05 17.19 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.657 1.583 . . . . 0.0 111.815 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.485 6.1 tt 68.92 -71.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.224 0 C-N-CA 130.582 3.553 . . . . 0.0 114.828 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.8 tp -170.54 126.79 0.77 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 p -103.04 91.09 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 123.461 1.601 . . . . 0.0 110.387 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.14 106.82 44.0 Favored Pre-proline 0 C--N 1.352 0.713 0 C-N-CA 127.434 2.294 . . . . 0.0 108.2 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.29 51.27 3.84 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 124.42 3.413 . . . . 0.0 113.976 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 p -107.15 87.71 2.57 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.857 2.463 . . . . 0.0 109.253 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.254 39.4 ttmt 100.21 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 128.958 2.903 . . . . 0.0 109.023 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.0 64.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 128.11 2.564 . . . . 0.0 108.486 175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -64.11 76.14 0.04 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.404 2.682 . . . . 0.0 114.691 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 73.07 -49.39 0.7 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 130.129 3.372 . . . . 0.0 114.618 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.78 34.95 33.05 Favored Glycine 0 C--N 1.36 1.89 0 C-N-CA 127.589 2.519 . . . . 0.0 114.702 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -85.16 59.37 5.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 114.514 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.25 -165.9 1.56 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.646 1.178 . . . . 0.0 108.841 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -152.94 -175.52 5.36 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.424 1.49 . . . . 0.0 107.95 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.405 ' CG ' ' H ' ' A' ' 123' ' ' LEU . 44.4 t60 -153.77 -174.69 5.05 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 2.0 pt? -147.24 -169.18 3.24 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 108.862 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -132.58 151.7 51.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.391 1.476 . . . . 0.0 107.321 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -84.36 63.59 7.87 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.218 1.807 . . . . 0.0 112.967 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -75.78 61.15 1.38 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.178 2.191 . . . . 0.0 114.536 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.03 53.68 2.52 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 127.893 2.477 . . . . 0.0 114.178 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.86 -3.26 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.973 2.109 . . . . 0.0 109.924 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -115.33 131.64 23.49 Favored Pre-proline 0 C--N 1.354 0.789 0 C-N-CA 127.906 2.483 . . . . 0.0 107.818 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.36 69.5 7.16 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.672 2.914 . . . . 0.0 113.436 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -87.57 -25.16 23.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.405 1.482 . . . . 0.0 111.788 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 71.38 -59.92 0.53 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.052 2.941 . . . . 0.0 115.479 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.35 0.625 0 C-N-CA 125.728 1.611 . . . . 0.0 108.358 -178.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.23 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -173.5 155.37 2.63 Favored Pre-proline 0 C--N 1.349 0.55 0 C-N-CA 126.881 2.072 . . . . 0.0 105.764 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -80.76 -177.69 3.91 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.406 3.404 . . . . 0.0 114.711 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -110.82 153.91 24.72 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.183 1.393 . . . . 0.0 110.082 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -120.83 41.58 3.25 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.753 1.221 . . . . 0.0 110.672 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -84.59 31.99 0.52 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.505 2.322 . . . . 0.0 112.236 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.05 173.99 6.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 130.43 3.492 . . . . 0.0 112.815 -174.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.24 -13.57 60.45 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.728 -1.857 . . . . 0.0 114.002 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.559 84.5 mttt -63.54 -25.68 68.36 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.42 2.288 . . . . 0.0 115.583 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.41 -16.45 3.66 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 167.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.62 -27.85 65.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 130.364 3.466 . . . . 0.0 111.743 167.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.67 -42.33 74.95 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.287 1.835 . . . . 0.0 113.343 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -61.86 -28.04 69.21 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 128.338 2.655 . . . . 0.0 117.11 169.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 p -79.62 -52.79 7.53 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.581 2.753 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.25 3.0 tpm_? 83.98 8.81 0.54 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 130.287 3.435 . . . . 0.0 112.633 -172.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.252 14.4 tt0 87.37 85.96 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 129.641 3.176 . . . . 0.0 109.466 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ptp -71.25 -36.11 71.65 Favored 'General case' 0 C--N 1.35 0.621 1 N-CA-C 123.502 4.631 . . . . 0.0 123.502 -171.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -69.64 -24.65 63.66 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 -164.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 53' ' ' SER 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 2.6 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.502 ' HB3' HG11 ' A' ' 27' ' ' VAL . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -138.26 98.15 9.33 Favored Pre-proline 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -70.11 162.46 42.16 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 125.071 3.847 . . . . 0.0 116.423 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t 79.31 39.68 0.11 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.794 2.438 . . . . 0.0 112.806 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.24 68.32 0.33 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.099 3.359 . . . . 0.0 116.74 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -158.02 -82.56 0.05 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 125.045 1.338 . . . . 0.0 110.068 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.5 m 111.8 -7.65 0.01 OUTLIER 'General case' 0 C--N 1.365 1.252 0 C-N-CA 131.011 3.724 . . . . 0.0 109.089 -173.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.6 t70 70.36 -55.16 0.62 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 128.562 2.745 . . . . 0.0 116.415 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -70.22 54.96 0.14 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.881 2.873 . . . . 0.0 115.962 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.327 95.9 mt 76.66 -91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 129.393 3.077 . . . . 0.0 110.074 -177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 tp -175.73 104.27 0.08 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.4 t -89.11 57.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.126 0 O-C-N 119.6 -1.937 . . . . 0.0 112.209 -174.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.0 tp -156.91 139.49 10.6 Favored Pre-proline 0 C--N 1.356 0.861 0 N-CA-C 103.107 -2.923 . . . . 0.0 103.107 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.83 61.55 8.23 Favored 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 124.691 3.594 . . . . 0.0 112.985 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -124.28 37.1 4.48 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.142 2.177 . . . . 0.0 108.214 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -102.05 -0.39 33.63 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 111.457 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.9 p -97.13 41.02 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 129.45 3.1 . . . . 0.0 111.291 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.5 -143.19 0.25 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.781 2.433 . . . . 0.0 111.066 177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -134.84 152.1 51.47 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.681 -1.887 . . . . 0.0 107.881 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.24 -53.48 0.42 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.519 ' HG2' ' H ' ' A' ' 120' ' ' ALA . 8.6 tt0 169.29 -142.5 0.0 OUTLIER 'General case' 0 C--N 1.351 0.638 0 N-CA-C 100.202 -3.999 . . . . 0.0 100.202 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' H ' ' HG2' ' A' ' 119' ' ' GLN . . . -84.58 80.14 9.34 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 127.621 2.369 . . . . 0.0 108.09 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.292 17.9 t80 85.16 -55.52 0.09 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 130.442 3.497 . . . . 0.0 112.157 -175.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -160.73 172.33 17.27 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.53 -157.51 0.63 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.549 2.34 . . . . 0.0 111.122 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -151.36 155.7 39.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . 0.269 50.6 ttt85 81.21 -114.55 0.02 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.953 2.501 . . . . 0.0 113.206 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -172.11 155.61 3.74 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 103.372 -2.825 . . . . 0.0 103.372 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.9 mt -109.45 131.38 55.11 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.348 1.059 . . . . 0.0 110.567 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -89.86 -13.51 36.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.638 1.575 . . . . 0.0 111.833 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.485 ' H ' ' HD2' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -71.64 -52.85 7.9 Favored Pre-proline 0 C--N 1.358 0.962 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -177.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.98 70.54 7.44 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.026 3.151 . . . . 0.0 113.305 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -84.08 58.3 4.67 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 112.613 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -92.94 90.07 6.81 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.972 1.709 . . . . 0.0 111.203 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.352 0.71 0 C-N-CA 124.259 1.024 . . . . 0.0 109.972 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.308 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -154.57 141.47 13.38 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 126.555 1.942 . . . . 0.0 105.899 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.87 150.49 38.93 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.827 3.685 . . . . 0.0 112.039 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 52.51 -46.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 131.525 3.93 . . . . 0.0 119.221 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.252 10.8 t80 75.82 47.35 0.09 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.4 3.48 . . . . 0.0 111.037 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -94.12 18.56 10.56 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 128.308 2.643 . . . . 0.0 115.785 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -35.65 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.773 4.829 . . . . 0.0 118.871 179.071 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.57 19.34 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.3 2.24 . . . . 0.0 109.92 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -52.58 -27.92 18.84 Favored 'General case' 0 C--N 1.364 1.22 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -55.67 -17.62 6.2 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.401 2.68 . . . . 0.0 115.667 171.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.9 -28.97 67.15 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 130.778 3.631 . . . . 0.0 112.589 168.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.22 -34.12 75.86 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 127.367 2.267 . . . . 0.0 112.839 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.3 -33.05 74.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.825 2.05 . . . . 0.0 115.642 166.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.45 -52.43 8.07 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.112 2.965 . . . . 0.0 112.818 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HB2' ' CD1' ' A' ' 73' ' ' PHE 0.302 72.6 mtt85 72.09 -112.28 0.05 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 129.392 3.077 . . . . 0.0 115.379 -176.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -119.8 59.11 0.88 Allowed 'General case' 0 C--N 1.364 1.228 0 O-C-N 120.107 -1.621 . . . . 0.0 113.955 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.5 ptp -69.52 -35.06 75.14 Favored 'General case' 0 C--N 1.364 1.22 0 O-C-N 119.244 -2.16 . . . . 0.0 113.542 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -52.33 -17.95 1.38 Allowed 'General case' 0 CA--C 1.541 0.624 1 C-N-CA 134.468 5.107 . . . . 0.0 117.209 -176.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 27' ' ' VAL 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.989 HG11 ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' ND2' ' CE2' ' A' ' 98' ' ' TRP . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' A' ' 31' ' ' HIS 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.989 ' HB3' HG11 ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 55' ' ' ILE . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.698 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.698 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' HG12 ' A' ' 21' ' ' VAL 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.601 HG13 ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 8.7 mm-40 -143.45 104.2 5.04 Favored Pre-proline 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -65.67 136.99 48.2 Favored 'Trans proline' 0 C--N 1.365 1.438 1 C-N-CA 125.324 4.016 . . . . 0.0 115.049 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.298 35.5 p 85.58 -122.15 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.675 1.99 . . . . 0.0 111.867 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 71.55 -163.65 0.13 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.893 2.077 . . . . 0.0 116.019 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.8 p -104.29 0.67 29.54 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.989 1.315 . . . . 0.0 111.907 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.282 80.2 m 71.14 -59.43 0.54 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 129.531 3.132 . . . . 0.0 116.267 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 78.62 133.05 0.06 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.612 2.765 . . . . 0.0 114.205 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -105.15 141.7 36.24 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.55 -1.344 . . . . 0.0 110.269 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.4 pt -77.52 85.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 125.846 1.658 . . . . 0.0 113.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 109' ' ' LEU . 2.5 pt? -92.04 3.75 54.57 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.408 2.283 . . . . 0.0 113.239 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.282 27.5 t 82.48 82.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.039 0 C-N-CA 130.105 3.362 . . . . 0.0 110.549 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 tt -101.8 140.38 21.15 Favored Pre-proline 0 C--N 1.354 0.783 0 C-N-CA 126.27 1.828 . . . . 0.0 108.949 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -65.11 96.03 0.26 Allowed 'Trans proline' 0 C--N 1.372 1.798 1 C-N-CA 125.308 4.006 . . . . 0.0 113.75 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -167.46 -83.87 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.473 1.509 . . . . 0.0 107.388 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.255 31.7 mtmm 71.33 -47.73 0.66 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.23 2.212 . . . . 0.0 116.88 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 m -118.46 11.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.763 1.625 . . . . 0.0 108.562 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.325 2.7 m-90 62.39 -58.99 0.13 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 130.363 3.465 . . . . 0.0 117.22 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.99 -16.16 39.21 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 129.083 2.953 . . . . 0.0 116.108 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 89.47 -33.41 4.36 Favored Glycine 0 C--N 1.361 1.918 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -79.34 -55.0 5.39 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.99 1.716 . . . . 0.0 113.397 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 71.48 -69.98 0.17 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.432 2.293 . . . . 0.0 116.792 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -138.38 102.35 4.61 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 125.826 1.65 . . . . 0.0 107.846 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -93.92 92.71 7.52 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.373 2.269 . . . . 0.0 108.884 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.53 177.32 6.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.34 154.49 47.61 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.989 1.716 . . . . 0.0 107.197 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 72.14 -52.5 0.7 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 127.754 2.422 . . . . 0.0 116.157 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 79.69 49.6 0.03 OUTLIER 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.813 2.845 . . . . 0.0 112.15 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 127' ' ' LEU . 2.3 pt? -86.41 -15.49 40.15 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.993 2.917 . . . . 0.0 115.377 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.32 46.73 1.25 Allowed 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.327 2.251 . . . . 0.0 113.937 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -139.72 153.53 70.18 Favored Pre-proline 0 C--N 1.354 0.763 0 C-N-CA 128.533 2.733 . . . . 0.0 105.788 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.05 67.17 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 125.268 3.979 . . . . 0.0 114.806 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.32 -75.92 0.59 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.387 1.875 . . . . 0.0 109.904 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -88.57 83.84 6.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.877 1.671 . . . . 0.0 111.964 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--N 1.358 0.953 0 C-N-CA 125.923 1.689 . . . . 0.0 109.833 -178.148 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.155 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -173.45 156.48 2.84 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.513 1.925 . . . . 0.0 106.546 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -78.65 -172.36 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.728 3.618 . . . . 0.0 114.881 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -116.25 159.48 21.79 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.465 1.106 . . . . 0.0 111.058 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -120.76 27.48 8.49 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 126.079 1.752 . . . . 0.0 109.547 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -100.68 7.04 44.13 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.212 2.205 . . . . 0.0 112.232 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -86.09 -116.64 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.205 2.602 . . . . 0.0 114.777 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -79.73 -13.77 59.22 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 130.041 3.337 . . . . 0.0 114.296 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -70.28 -27.75 64.67 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 129.545 3.138 . . . . 0.0 111.884 172.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -55.76 -14.72 2.47 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 128.03 2.532 . . . . 0.0 115.832 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.71 -28.33 68.35 Favored 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.728 4.411 . . . . 0.0 114.297 169.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.46 -31.39 62.22 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 124.633 1.173 . . . . 0.0 113.437 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.08 -46.89 85.29 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -64.4 -29.76 70.81 Favored 'General case' 0 CA--C 1.534 0.355 1 C-N-CA 135.2 5.4 . . . . 0.0 114.563 -177.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -77.74 19.03 0.41 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 119.229 -2.169 . . . . 0.0 115.269 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -109.58 -10.59 14.84 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.848 3.659 . . . . 0.0 109.188 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -70.77 -38.83 73.45 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 126.802 2.041 . . . . 0.0 114.592 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 -52.91 -16.78 1.12 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.51 3.524 . . . . 0.0 118.282 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 27' ' ' VAL 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.889 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HB2' ' NE2' ' A' ' 100' ' ' GLN 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' HE ' ' A' ' 51' ' ' ARG 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.537 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.889 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.582 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' VAL . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 67' ' ' TRP . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 21' ' ' VAL . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.416 ' CH2' HG23 ' A' ' 47' ' ' ILE . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.518 ' NE1' ' NE2' ' A' ' 100' ' ' GLN 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.518 ' NE2' ' NE1' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -111.66 112.02 54.04 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -67.11 129.7 21.15 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 125.046 3.831 . . . . 0.0 117.102 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.302 18.0 t 90.97 140.36 0.03 OUTLIER 'General case' 0 C--N 1.359 1.02 0 C-N-CA 127.844 2.458 . . . . 0.0 115.517 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.44 -174.22 2.86 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.071 2.148 . . . . 0.0 109.113 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -100.83 -116.33 0.17 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.671 -1.268 . . . . 0.0 110.179 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 49.0 t -95.48 -89.99 0.24 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.471 1.508 . . . . 0.0 107.095 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -124.43 65.03 1.08 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -107.12 141.54 38.21 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.61 -1.306 . . . . 0.0 110.093 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.568 HG23 ' H ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -98.97 -74.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.027 1.731 . . . . 0.0 108.387 174.661 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' H ' HG23 ' A' ' 108' ' ' ILE . 54.0 tp -150.82 143.27 24.32 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.97 -0.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.0 tp -120.24 92.42 47.21 Favored Pre-proline 0 C--N 1.354 0.788 0 O-C-N 119.96 -1.712 . . . . 0.0 109.946 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.73 65.88 8.84 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 124.656 3.571 . . . . 0.0 113.119 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -129.03 128.73 44.21 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.873 1.669 . . . . 0.0 106.67 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 54.29 1.34 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.401 1.48 . . . . 0.0 107.661 -177.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.08 53.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.48 2.712 . . . . 0.0 117.683 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -94.94 -13.3 25.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.641 2.376 . . . . 0.0 111.93 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -124.1 174.6 7.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.24 121.98 5.68 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 120.156 -1.59 . . . . 0.0 113.529 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -74.32 59.71 0.8 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.55 52.52 1.19 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.584 1.953 . . . . 0.0 114.154 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 59.05 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.36 1.033 0 C-N-CA 130.91 3.684 . . . . 0.0 116.905 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -157.6 53.86 0.48 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 125.508 1.523 . . . . 0.0 107.077 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.255 22.7 mt 82.2 41.42 0.04 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 129.647 3.179 . . . . 0.0 114.21 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.82 76.56 10.0 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 119.591 -1.943 . . . . 0.0 112.534 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 70.54 -53.91 0.65 Allowed 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.934 2.494 . . . . 0.0 116.002 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -80.0 25.28 0.38 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 129.34 3.056 . . . . 0.0 114.935 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.3 tp -161.08 27.53 0.14 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.615 1.166 . . . . 0.0 108.335 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -108.21 98.08 7.68 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 119.407 -2.058 . . . . 0.0 108.479 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -98.58 -70.44 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.947 0 CA-C-O 115.942 -1.98 . . . . 0.0 113.082 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.05 60.73 7.91 Favored 'Trans proline' 0 C--N 1.369 1.652 0 CA-C-N 127.301 3.643 . . . . 0.0 111.773 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -93.35 -22.55 18.88 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.58 2.352 . . . . 0.0 115.707 -171.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 72.54 -62.28 0.47 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.912 2.485 . . . . 0.0 115.706 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--N 1.356 0.872 0 C-N-CA 125.536 1.534 . . . . 0.0 108.852 -178.045 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.197 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -110.21 103.59 54.09 Favored Pre-proline 0 C--N 1.351 0.652 0 C-N-CA 126.43 1.892 . . . . 0.0 109.859 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -84.41 179.52 4.45 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.917 3.078 . . . . 0.0 112.443 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.2 -148.72 0.43 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.659 1.984 . . . . 0.0 106.903 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -84.24 67.01 9.62 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 119.469 -2.019 . . . . 0.0 108.663 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.28 3.28 48.76 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.406 2.283 . . . . 0.0 114.359 -172.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -36.19 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 1 C-N-CA 133.785 4.834 . . . . 0.0 120.124 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -99.98 -13.31 19.15 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.878 2.071 . . . . 0.0 111.065 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -49.41 -28.72 5.44 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 130.376 3.47 . . . . 0.0 116.822 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.12 -12.12 1.39 Allowed 'General case' 0 C--N 1.359 0.989 1 C-N-CA 131.748 4.019 . . . . 0.0 115.014 167.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 2.8 tt0 -46.89 -29.47 2.02 Favored 'General case' 0 C--N 1.376 1.735 1 C-N-CA 133.658 4.783 . . . . 0.0 118.101 -166.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.21 -36.45 84.12 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 125.895 1.678 . . . . 0.0 113.001 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -65.6 -46.39 79.51 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.526 ' CG2' ' HA ' ' A' ' 11' ' ' GLU . 9.8 t -77.7 -52.51 8.85 Favored 'General case' 0 CA--C 1.542 0.649 1 C-N-CA 134.858 5.263 . . . . 0.0 108.471 -178.222 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 38.51 -87.08 0.01 OUTLIER 'General case' 0 C--N 1.369 1.427 0 C-N-CA 131.136 3.774 . . . . 0.0 119.728 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.03 1.07 14.53 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.008 2.523 . . . . 0.0 112.866 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.29 0.0 OUTLIER -53.82 -33.39 55.98 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 128.467 2.707 . . . . 0.0 114.806 176.476 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -51.1 -16.88 0.53 Allowed 'General case' 0 C--N 1.374 1.659 1 C-N-CA 132.086 4.154 . . . . 0.0 114.688 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 24' ' ' ILE 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' ' HG2' ' A' ' 45' ' ' MET 0.589 1.9 tp60 -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.86 HG12 ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 45' ' ' MET . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.86 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 154.17 75.78 Favored Pre-proline 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -63.42 161.69 30.21 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 125.213 3.942 . . . . 0.0 117.646 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t 80.2 -176.86 0.07 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 128.11 2.564 . . . . 0.0 116.069 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.1 51.18 2.07 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.566 1.547 . . . . 0.0 109.894 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.6 m -74.03 -49.84 22.46 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.84 2.856 . . . . 0.0 115.007 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.3 152.62 39.9 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.35 62.45 0.71 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.156 2.182 . . . . 0.0 116.281 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -87.03 -28.33 22.67 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.337 2.255 . . . . 0.0 111.021 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.9 mt 74.48 -52.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 129.397 3.079 . . . . 0.0 113.249 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.288 15.1 tp 81.51 64.46 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 C-N-CA 130.769 3.628 . . . . 0.0 111.197 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 t -74.85 -28.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.649 1.98 . . . . 0.0 112.452 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . 0.285 24.7 mm 84.66 118.64 0.03 OUTLIER Pre-proline 0 C--N 1.37 1.457 0 C-N-CA 130.847 3.659 . . . . 0.0 111.382 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.47 70.13 7.63 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 124.794 3.662 . . . . 0.0 111.885 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 m -177.66 174.4 1.51 Allowed 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.794 -2.669 . . . . 0.0 103.794 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 73.23 -44.14 0.58 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 173.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -81.31 154.23 4.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 129.296 3.038 . . . . 0.0 114.12 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -83.13 118.5 23.62 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.032 2.533 . . . . 0.0 110.829 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.16 157.11 44.5 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 120.581 -1.325 . . . . 0.0 109.953 -177.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.39 -67.77 3.42 Favored Glycine 0 C--N 1.365 2.156 0 C-N-CA 127.422 2.439 . . . . 0.0 113.176 -175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -82.7 65.27 7.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 128.016 2.526 . . . . 0.0 112.911 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.99 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.107 1.763 . . . . 0.0 110.748 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.269 58.0 m-85 92.77 133.77 0.03 OUTLIER 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.782 3.233 . . . . 0.0 111.259 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -107.97 35.85 2.98 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 125.178 1.391 . . . . 0.0 111.442 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.45 60.81 1.64 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.406 2.282 . . . . 0.0 114.297 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -156.14 -47.31 0.08 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 129.241 3.016 . . . . 0.0 104.452 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -113.7 60.4 0.66 Allowed 'General case' 0 C--N 1.362 1.115 0 C-N-CA 127.05 2.14 . . . . 0.0 108.432 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -121.81 100.08 6.8 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.325 9.2 mp 90.11 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.355 0 C-N-CA 128.98 2.912 . . . . 0.0 109.642 -171.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -78.7 55.35 1.66 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.855 2.062 . . . . 0.0 112.676 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -103.55 153.36 38.65 Favored Pre-proline 0 C--N 1.348 0.515 0 C-N-CA 127.631 2.372 . . . . 0.0 107.405 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -76.55 98.87 1.24 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.085 3.19 . . . . 0.0 112.978 -174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -104.66 -150.13 0.42 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.037 1.735 . . . . 0.0 110.154 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -114.12 64.62 0.66 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.997 -1.689 . . . . 0.0 111.189 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.359 0.998 0 C-N-CA 125.47 1.508 . . . . 0.0 109.781 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.18 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -167.62 123.8 0.88 Allowed Pre-proline 0 C--N 1.353 0.733 0 CA-C-O 116.351 -1.785 . . . . 0.0 106.655 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -79.31 -177.19 3.7 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.746 3.631 . . . . 0.0 115.299 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.35 -22.6 59.15 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 118.564 2.801 . . . . 0.0 118.564 -175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.25 7.4 t80 98.13 4.3 0.02 OUTLIER 'General case' 0 C--N 1.354 0.785 0 C-N-CA 129.318 3.047 . . . . 0.0 110.058 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -87.58 28.57 0.97 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.897 2.879 . . . . 0.0 111.7 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -92.27 172.78 8.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 131.388 3.875 . . . . 0.0 111.491 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -80.05 -14.53 58.46 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 119.272 -2.142 . . . . 0.0 113.765 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.421 35.8 mtmm -67.14 -26.21 66.56 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 127.646 2.378 . . . . 0.0 115.587 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.303 9.5 pt-20 -56.0 -14.64 2.69 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.509 1.924 . . . . 0.0 115.674 171.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.83 -28.7 61.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.742 2.817 . . . . 0.0 113.619 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.03 -31.11 68.59 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 126.353 1.861 . . . . 0.0 113.18 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.11 -46.11 82.89 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 131.118 3.767 . . . . 0.0 119.354 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.254 8.8 t -72.18 -28.82 63.46 Favored 'General case' 0 N--CA 1.452 -0.341 1 C-N-CA 132.037 4.135 . . . . 0.0 113.466 -176.716 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.25 -14.97 61.95 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.687 2.395 . . . . 0.0 115.009 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -94.32 -8.39 39.1 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.813 2.445 . . . . 0.0 112.121 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 12.6 ttm -65.44 -50.59 64.86 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.379 2.672 . . . . 0.0 115.598 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 -51.81 -14.62 0.39 Allowed 'General case' 0 C--N 1.348 0.514 0 C-N-CA 131.167 3.787 . . . . 0.0 120.523 -168.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 17' ' ' MET . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 12.4 m120 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.409 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.409 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.846 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 99' ' ' ILE 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? -90.18 124.22 63.77 Favored Pre-proline 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -71.17 129.01 15.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 CA-C-N 125.233 2.904 . . . . 0.0 117.557 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.312 1.5 t 72.59 -36.82 0.37 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 128.687 2.795 . . . . 0.0 117.983 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 68.5 -54.57 0.53 Allowed 'General case' 0 C--N 1.372 1.549 0 C-N-CA 128.247 2.619 . . . . 0.0 116.684 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.8 m -89.01 26.67 1.51 Allowed 'General case' 0 C--N 1.346 0.445 0 C-N-CA 130.322 3.449 . . . . 0.0 112.706 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.4 p -84.95 -36.0 21.69 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.142 2.577 . . . . 0.0 113.962 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 80.29 63.13 0.02 OUTLIER 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.3 3.04 . . . . 0.0 112.112 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -78.62 -36.49 44.02 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 -172.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 tp -52.02 -61.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 128.674 2.79 . . . . 0.0 117.841 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.04 128.57 0.73 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 177.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.0 -2.45 6.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.401 0 CA-C-O 124.285 1.993 . . . . 0.0 113.963 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.8 104.17 42.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.62 0.1 5.15 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.964 3.109 . . . . 0.0 112.89 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.337 84.6 p 89.34 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.364 1.238 0 C-N-CA 129.11 2.964 . . . . 0.0 113.985 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -158.26 -178.51 7.34 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.94 117.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.357 1.463 . . . . 0.0 108.664 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -80.17 60.96 3.84 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.65 1.98 . . . . 0.0 113.386 -176.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.276 21.6 mt-30 77.14 -44.05 0.44 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.993 2.517 . . . . 0.0 115.094 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.72 -54.09 0.04 OUTLIER Glycine 0 C--N 1.358 1.79 0 O-C-N 121.169 -0.957 . . . . 0.0 114.822 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.486 HE21 ' CE1' ' A' ' 122' ' ' HIS . 2.2 pp0? -118.12 -132.65 0.32 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -172.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -110.31 -99.27 0.4 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.068 1.747 . . . . 0.0 113.873 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -95.37 149.8 20.98 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.486 ' CE1' HE21 ' A' ' 119' ' ' GLN . 89.3 m-70 -139.92 43.94 1.93 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.119 2.168 . . . . 0.0 108.945 177.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -102.06 -70.96 0.73 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.275 1.43 . . . . 0.0 110.51 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -109.54 48.56 0.87 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.081 1.352 . . . . 0.0 109.643 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -136.08 125.63 25.24 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.018 1.327 . . . . 0.0 108.193 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -143.93 171.22 14.54 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.712 2.005 . . . . 0.0 106.196 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.1 tp -96.84 55.81 1.4 Allowed 'General case' 0 C--N 1.361 1.098 0 CA-C-O 123.05 1.405 . . . . 0.0 111.687 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.71 171.13 19.33 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 101.837 -3.394 . . . . 0.0 101.837 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -106.74 151.92 40.66 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-O 117.321 -1.323 . . . . 0.0 108.699 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.95 69.59 6.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 124.778 3.652 . . . . 0.0 114.037 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -164.41 171.66 14.42 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -89.71 60.16 4.95 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.55 1.94 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 -178.529 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -174.79 157.31 2.21 Favored Pre-proline 0 C--N 1.348 0.513 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -81.19 169.72 15.67 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.469 3.446 . . . . 0.0 114.272 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.05 -36.81 15.57 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.291 2.236 . . . . 0.0 114.48 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.258 17.0 t80 75.75 42.03 0.23 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 128.642 2.777 . . . . 0.0 113.901 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -95.56 71.38 3.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.774 2.226 . . . . 0.0 112.689 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -136.65 0.14 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.985 2.914 . . . . 0.0 112.777 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -99.93 -42.79 6.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.852 -1.78 . . . . 0.0 111.121 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.388 42.6 mttp -71.22 -28.36 64.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 120.572 3.545 . . . . 0.0 120.572 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -55.49 -15.09 2.39 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.65 -29.03 45.53 Favored 'General case' 0 C--N 1.36 1.025 1 C-N-CA 134.23 5.012 . . . . 0.0 113.206 172.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -71.6 -38.85 70.8 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.814 1.646 . . . . 0.0 112.367 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -58.19 -46.77 85.22 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 130.786 3.635 . . . . 0.0 119.867 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -69.57 -28.92 66.39 Favored 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 135.669 5.588 . . . . 0.0 110.219 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -87.79 136.98 32.72 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.586 2.754 . . . . 0.0 110.972 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 103.35 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.848 2.859 . . . . 0.0 108.456 -175.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -65.39 -36.07 82.86 Favored 'General case' 0 C--N 1.364 1.215 1 C-N-CA 133.119 4.568 . . . . 0.0 117.049 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -53.19 -17.33 1.6 Allowed 'General case' 0 C--N 1.37 1.468 1 C-N-CA 131.853 4.061 . . . . 0.0 117.539 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 70' ' ' ALA 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 27' ' ' VAL 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 28' ' ' LEU 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' CYS 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.551 HG23 ' CE3' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CE3' HG23 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -138.09 103.92 8.09 Favored Pre-proline 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -67.3 144.59 68.84 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.335 3.356 . . . . 0.0 115.948 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.337 64.8 p 80.63 23.98 0.35 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 117.851 2.538 . . . . 0.0 117.851 173.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.13 61.88 0.63 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.354 85.3 p 97.45 -58.08 0.0 OUTLIER 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.071 3.348 . . . . 0.0 115.592 175.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.1 t -44.03 -61.29 1.51 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -149.32 150.8 33.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.336 . . . . 0.0 107.939 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.273 53.3 tptt 110.65 102.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.801 3.241 . . . . 0.0 112.26 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.73 89.43 2.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 125.854 1.662 . . . . 0.0 109.836 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.54 88.13 4.5 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -109.52 6.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 C-N-CA 127.625 2.37 . . . . 0.0 106.882 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.9 mm -111.63 121.08 40.92 Favored Pre-proline 0 C--N 1.359 0.98 0 C-N-CA 129.485 3.114 . . . . 0.0 105.628 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -82.8 164.94 15.74 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.921 3.081 . . . . 0.0 113.548 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -148.09 -89.36 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.125 0.97 . . . . 0.0 110.091 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -124.58 124.02 41.34 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.247 1.419 . . . . 0.0 108.931 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 m -95.21 -29.6 4.05 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 125.78 1.632 . . . . 0.0 114.299 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.7 m95 65.15 35.75 7.68 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.828 2.451 . . . . 0.0 115.024 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 83.33 -55.11 0.16 Allowed 'General case' 0 C--N 1.369 1.439 0 C-N-CA 129.312 3.045 . . . . 0.0 109.35 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.47 160.73 28.49 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 173.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -87.68 47.71 1.54 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 127.678 2.391 . . . . 0.0 112.836 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 76.43 46.62 0.09 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 127.459 2.304 . . . . 0.0 110.262 -171.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.262 81.5 m-85 74.83 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.37 1.494 0 C-N-CA 128.535 2.734 . . . . 0.0 111.145 -176.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -98.42 -14.98 19.83 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.806 1.642 . . . . 0.0 112.58 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.27 2.8 tt 81.82 122.34 0.04 OUTLIER 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.24 3.016 . . . . 0.0 110.642 -174.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -99.92 134.39 42.9 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 119.336 -2.102 . . . . 0.0 112.333 -175.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.53 155.17 40.79 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.24 -14.51 20.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.857 1.263 . . . . 0.0 114.033 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt 65.53 -53.77 0.35 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.92 2.888 . . . . 0.0 117.214 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 81.93 -54.1 0.25 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 129.159 2.984 . . . . 0.0 112.391 -175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -97.19 120.03 62.01 Favored Pre-proline 0 C--N 1.358 0.957 0 C-N-CA 128.803 2.841 . . . . 0.0 107.685 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.48 110.42 2.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.418 3.412 . . . . 0.0 116.218 -167.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -131.85 57.15 1.78 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -79.12 65.33 4.27 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.359 2.264 . . . . 0.0 114.725 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.362 1.126 0 C-N-CA 128.555 2.742 . . . . 0.0 113.338 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 179.89 80.63 0.19 Allowed Pre-proline 0 C--N 1.345 0.402 0 C-N-CA 128.206 2.602 . . . . 0.0 107.559 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -80.78 -177.95 4.09 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.343 3.362 . . . . 0.0 113.962 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 82.38 161.94 0.14 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.594 2.758 . . . . 0.0 115.19 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -132.3 63.72 1.62 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.184 1.394 . . . . 0.0 107.862 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -85.66 48.25 1.56 Allowed 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.215 1.96 . . . . 0.0 112.225 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -107.87 166.73 10.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.065 3.346 . . . . 0.0 112.391 -175.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -20.13 65.9 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.648 2.779 . . . . 0.0 117.138 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.508 2.3 mptt -70.44 -25.41 63.19 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 130.231 3.413 . . . . 0.0 113.541 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 1.8 pt-20 -55.0 -14.69 1.59 Allowed 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.74 2.816 . . . . 0.0 115.128 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.84 -30.58 70.94 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.863 2.865 . . . . 0.0 113.304 168.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.81 -38.22 73.29 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.829 1.652 . . . . 0.0 111.641 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.03 -46.03 62.82 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.116 2.166 . . . . 0.0 116.241 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p -78.45 -52.9 7.87 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 128.418 2.687 . . . . 0.0 117.551 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -69.81 62.32 0.18 Allowed 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -170.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -166.11 -45.54 0.03 OUTLIER 'General case' 0 C--N 1.346 0.447 0 C-N-CA 127.562 2.345 . . . . 0.0 106.5 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 mtm -58.74 -35.1 72.17 Favored 'General case' 0 C--N 1.358 0.948 1 C-N-CA 132.119 4.167 . . . . 0.0 117.964 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 -63.86 -17.86 63.59 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 172.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 50' ' ' VAL . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 27' ' ' VAL 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.704 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.622 ' CZ3' HG21 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.467 ' CG ' HG12 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -101.14 120.25 55.64 Favored Pre-proline 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -62.55 150.07 88.86 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.924 3.75 . . . . 0.0 114.263 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.389 52.0 p 82.01 -48.12 0.21 Allowed 'General case' 0 C--N 1.347 0.48 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 177.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -63.38 1.08 Allowed 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.701 3.2 . . . . 0.0 112.731 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.6 m -86.98 8.24 24.09 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.379 -1.45 . . . . 0.0 112.704 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.86 26.83 10.01 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.338 1.855 . . . . 0.0 109.003 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.44 121.68 44.28 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.275 45.4 tptt 79.66 4.63 2.07 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.316 2.246 . . . . 0.0 114.842 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.7 tp -91.85 163.38 2.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 119.882 -1.761 . . . . 0.0 110.648 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.59 -51.93 6.15 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.996 1.319 . . . . 0.0 113.069 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.279 21.4 t 81.42 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.227 0 C-N-CA 128.886 2.874 . . . . 0.0 108.157 -173.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.8 tt -166.37 136.24 2.59 Favored Pre-proline 0 C--N 1.354 0.766 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -84.11 -1.21 9.81 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 CA-C-N 125.434 2.976 . . . . 0.0 113.907 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.8 m -87.09 62.92 7.62 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.437 2.295 . . . . 0.0 112.037 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -111.81 95.68 5.63 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 125.875 1.67 . . . . 0.0 107.281 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 115' ' ' VAL . 12.4 m -73.06 82.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.989 2.116 . . . . 0.0 116.326 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -90.71 -7.63 52.03 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.183 1.793 . . . . 0.0 112.992 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.45 126.31 22.98 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 129.495 3.118 . . . . 0.0 118.285 -172.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.83 -39.27 1.89 Allowed Glycine 0 C--N 1.36 1.884 0 C-N-CA 125.138 1.351 . . . . 0.0 112.417 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -121.88 114.05 20.49 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.995 1.318 . . . . 0.0 112.873 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.76 59.86 0.66 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.068 1.747 . . . . 0.0 111.674 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 54.88 -101.22 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.077 2.951 . . . . 0.0 118.578 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -148.9 37.92 0.81 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 123.86 0.864 . . . . 0.0 111.636 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.6 tp -115.2 -93.87 0.49 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.915 -1.116 . . . . 0.0 110.084 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.71 124.67 51.42 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.529 1.932 . . . . 0.0 107.285 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -144.9 168.1 21.06 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.272 77.0 mtt85 68.4 -98.41 0.04 OUTLIER 'General case' 0 C--N 1.365 1.255 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -145.96 82.22 1.61 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 69.66 -54.07 0.6 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.123 2.969 . . . . 0.0 115.456 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -98.07 132.13 25.2 Favored Pre-proline 0 C--N 1.356 0.849 0 C-N-CA 128.316 2.647 . . . . 0.0 107.057 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.6 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 124.597 3.531 . . . . 0.0 109.776 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.93 42.48 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 101.056 -3.683 . . . . 0.0 101.056 175.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -160.65 158.44 28.87 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.357 0.895 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HZ3' ' A' ' 67' ' ' TRP 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 25' ' ' ILE 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.566 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 22' ' ' VAL 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 9.1 m170 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' HIS . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' HG21 ' A' ' 27' ' ' VAL . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.479 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.566 ' CH2' HG21 ' A' ' 24' ' ' ILE . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HB2' HG11 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.406 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.488 ' CZ2' ' HB2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.372 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' CE ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 0.0 OUTLIER -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 64' ' ' LYS 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.552 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' LYS 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CG ' HG12 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 . . . . . 0 N--CA 1.471 0.609 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 81' ' ' VAL . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 96' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.547 ' C ' HG13 ' A' ' 81' ' ' VAL . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.544 ' HB2' HG22 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.549 HD13 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 41' ' ' LEU 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' HB ' ' HD3' ' A' ' 48' ' ' PRO . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 47' ' ' ILE 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.659 ' O ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.874 ' HB3' HG11 ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 48.5 t60 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.655 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HZ3' HH12 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.705 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? . . . . . 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.442 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 55' ' ' ILE . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' H ' ' HD3' ' A' ' 60' ' ' ARG 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.633 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 HD13 ' A' ' 28' ' ' LEU . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.608 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.787 ' CE1' HG12 ' A' ' 50' ' ' VAL . 5.1 p80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.787 HG12 ' CE1' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HA ' HD22 ' A' ' 54' ' ' LEU 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HA ' ' A' ' 51' ' ' ARG 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.635 ' O ' HD21 ' A' ' 54' ' ' LEU 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.633 ' CH2' HG21 ' A' ' 24' ' ' ILE . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.523 ' CB ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 22' ' ' VAL . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 27' ' ' VAL 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.751 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HA ' HD22 ' A' ' 41' ' ' LEU 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 35' ' ' CYS . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.64 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.642 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 p80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.751 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.418 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' O ' HG23 ' A' ' 71' ' ' VAL . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.49 ' HE3' ' CD2' ' A' ' 49' ' ' HIS . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 35' ' ' CYS . 18.6 tm0? . . . . . 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG12 ' HB1' ' A' ' 70' ' ' ALA . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 54' ' ' LEU 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.625 HG13 HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CE1' ' HB2' ' A' ' 42' ' ' GLN . 21.0 t60 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HA ' HD23 ' A' ' 41' ' ' LEU . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.696 ' HB2' ' CE1' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.612 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.612 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.59 ' CH2' HG21 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' ALA 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG13 ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' THR . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CH2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 27' ' ' VAL 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.791 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.615 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.791 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 54' ' ' LEU 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' ARG 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 51' ' ' ARG 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.457 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.615 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 . . . . . 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 51' ' ' ARG 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.745 ' O ' HD22 ' A' ' 54' ' ' LEU 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 51' ' ' ARG 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HD2' ' A' ' 57' ' ' PRO . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 55' ' ' ILE . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 98' ' ' TRP . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.448 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.589 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.593 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.463 0.211 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.446 ' HB3' HH12 ' A' ' 51' ' ' ARG 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.62 HD12 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 35' ' ' CYS . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 32' ' ' ASN 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' ARG . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CE2' HG11 ' A' ' 95' ' ' VAL 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.62 HH11 HD12 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 51' ' ' ARG 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.583 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.525 ' H ' HD21 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.511 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 44' ' ' TYR 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' PRO . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.632 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 . . . . . 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 70' ' ' ALA 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 27' ' ' VAL 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 24' ' ' ILE 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 16.3 m170 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.545 HE21 ' CG ' ' A' ' 45' ' ' MET 0.277 0.0 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.569 ' SD ' HG11 ' A' ' 81' ' ' VAL . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' CE1' ' HE1' ' A' ' 31' ' ' HIS 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 48' ' ' PRO 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 54' ' ' LEU 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.545 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' TRP 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 67' ' ' TRP . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 . . . . . 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 27' ' ' VAL 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 74' ' ' LEU 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 24' ' ' ILE 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HE1' ' CD1' ' A' ' 98' ' ' TRP . 8.4 p80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 HE21 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.624 ' O ' HD22 ' A' ' 54' ' ' LEU 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.494 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.636 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.556 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD11 HG22 ' A' ' 25' ' ' ILE . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.512 HG21 HE21 ' A' ' 42' ' ' GLN 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' HB3' HG11 ' A' ' 81' ' ' VAL 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 31' ' ' HIS 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 53' ' ' SER 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 1.3 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.502 ' HB3' HG11 ' A' ' 27' ' ' VAL . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 117.209 2.3 . . . . 0.0 117.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 27' ' ' VAL 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.989 HG11 ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' ND2' ' CE2' ' A' ' 98' ' ' TRP . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' A' ' 31' ' ' HIS 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.989 ' HB3' HG11 ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 55' ' ' ILE . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.698 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.698 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' HG12 ' A' ' 21' ' ' VAL 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.601 HG13 ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 4.6 mm100 . . . . . 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 27' ' ' VAL 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.889 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' HE ' ' A' ' 51' ' ' ARG 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.537 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.889 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.582 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' VAL . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 67' ' ' TRP . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 21' ' ' VAL . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.416 ' CH2' HG23 ' A' ' 47' ' ' ILE . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 31' ' ' HIS 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 24' ' ' ILE 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD12 HE21 ' A' ' 42' ' ' GLN 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.574 HE21 HD12 ' A' ' 41' ' ' LEU 0.589 0.3 OUTLIER -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.86 HG12 ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 45' ' ' MET . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.86 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 120.523 3.527 . . . . 0.0 120.523 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' H ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 47.2 m-80 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.409 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.409 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.846 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 99' ' ' ILE 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? . . . . . 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 70' ' ' ALA 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 27' ' ' VAL 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 28' ' ' LEU 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' CYS 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.551 HG23 ' CE3' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CE3' HG23 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 50' ' ' VAL . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 27' ' ' VAL 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.704 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.622 ' CZ3' HG21 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.467 ' CG ' HG12 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -154.76 145.55 16.25 Favored Pre-proline 0 C--N 1.35 0.62 0 C-N-CA 126.161 1.785 . . . . 0.0 106.76 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.91 173.87 13.39 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.606 3.537 . . . . 0.0 112.081 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -87.36 -31.06 20.33 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 126.741 2.016 . . . . 0.0 115.464 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.341 24.7 t80 83.17 -63.08 0.11 Allowed 'General case' 0 C--N 1.356 0.873 0 C-N-CA 128.592 2.757 . . . . 0.0 111.988 -175.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 61.57 89.21 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 131.668 3.987 . . . . 0.0 116.529 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -126.63 -155.26 0.68 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.922 2.089 . . . . 0.0 108.883 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 t -73.82 -36.37 64.96 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 119.001 -2.312 . . . . 0.0 116.588 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.383 38.4 mtpt -72.43 -29.26 63.55 Favored 'General case' 0 C--N 1.37 1.465 0 N-CA-C 118.283 2.697 . . . . 0.0 118.283 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -55.86 -17.29 6.0 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.29 -31.3 70.65 Favored 'General case' 0 C--N 1.365 1.273 1 C-N-CA 133.246 4.618 . . . . 0.0 113.108 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.01 -32.33 73.49 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 126.484 1.914 . . . . 0.0 113.328 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -66.48 -46.23 77.0 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 127.473 2.309 . . . . 0.0 114.367 170.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 p -75.79 -29.35 58.71 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 130.741 3.616 . . . . 0.0 113.85 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -64.63 103.15 0.64 Allowed 'General case' 0 CA--C 1.558 1.287 0 O-C-N 119.287 -2.133 . . . . 0.0 116.656 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 133.68 -31.77 0.01 OUTLIER 'General case' 0 C--N 1.371 1.529 1 C-N-CA 132.159 4.184 . . . . 0.0 107.301 -177.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.278 20.2 mtm -69.83 -32.83 71.46 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 130.08 3.352 . . . . 0.0 115.598 -179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -51.68 -17.01 0.75 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 121.675 3.954 . . . . 0.0 121.675 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -24.77 -76.75 0.02 OUTLIER 'General case' 0 C--N 1.371 1.511 0 C-N-CA 130.543 3.537 . . . . 0.0 118.511 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.291 0.0 OUTLIER -77.59 -26.53 50.83 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 174.45 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' HZ3' ' A' ' 67' ' ' TRP 0.64 5.0 p -74.12 -30.2 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.502 1.521 . . . . 0.0 113.174 -175.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 25' ' ' ILE 0.3 2.7 p -50.91 -32.54 11.67 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 C-N-CA 127.763 2.425 . . . . 0.0 114.339 176.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -44.22 75.29 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 125.805 1.642 . . . . 0.0 114.987 168.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.566 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.36 31.4 mt -76.21 -36.68 30.82 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 126.956 2.102 . . . . 0.0 113.14 178.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 22' ' ' VAL 0.317 9.3 pt -66.91 -30.62 50.22 Favored 'Isoleucine or valine' 0 C--N 1.375 1.707 0 O-C-N 119.064 -2.272 . . . . 0.0 110.959 171.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -67.58 -48.06 67.98 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 126.221 1.808 . . . . 0.0 111.869 168.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.2 t -50.56 -54.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.379 1.891 0 C-N-CA 129.602 3.161 . . . . 0.0 111.984 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.79 -52.59 19.62 Favored 'General case' 0 C--N 1.367 1.33 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.47 -28.6 65.48 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -78.33 -52.59 8.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 130.518 3.527 . . . . 0.0 115.637 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 9.1 m170 -63.4 -33.02 74.64 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.403 2.681 . . . . 0.0 108.573 174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.34 -42.7 74.17 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -38.09 85.13 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.4 1.48 . . . . 0.0 114.329 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.19 61.27 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 128.588 2.755 . . . . 0.0 112.975 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' HIS . 3.4 t -77.38 -38.47 49.88 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 -177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -70.76 -13.24 61.98 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.54 2.336 . . . . 0.0 114.139 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -80.47 -39.69 27.62 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 128.734 2.814 . . . . 0.0 113.101 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -105.68 -178.25 3.6 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 131.545 3.938 . . . . 0.0 103.643 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -67.27 0.51 Allowed 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.732 -1.855 . . . . 0.0 112.906 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -152.55 119.46 5.78 Favored 'General case' 0 N--CA 1.42 -1.954 1 N-CA-C 97.712 -4.922 . . . . 0.0 97.712 165.878 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.277 3.2 pp -68.62 -20.4 64.48 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.116 3.144 . . . . 0.0 116.559 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.667 1.0 OUTLIER -101.41 36.46 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.941 2 CA-C-O 110.383 -4.627 . . . . 0.0 120.871 176.179 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -40.65 -28.52 0.34 Allowed 'Trans proline' 0 C--N 1.368 1.6 2 CA-C-N 132.145 5.373 . . . . 0.0 120.244 -164.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -162.82 137.78 6.67 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 120.458 1.481 . . . . 0.0 107.022 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.76 157.84 54.23 Favored Pre-proline 0 C--N 1.36 1.055 0 C-N-CA 127.218 2.207 . . . . 0.0 108.783 175.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.09 178.64 7.34 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 124.401 3.401 . . . . 0.0 112.156 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.05 -52.39 56.24 Favored Pre-proline 0 C--N 1.365 1.276 0 C-N-CA 127.934 2.494 . . . . 0.0 109.94 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.901 47.1 Cg_endo -49.4 -14.59 0.62 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 1 C-N-CA 127.539 5.493 . . . . 0.0 119.765 159.071 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -55.75 -48.82 74.61 Favored 'General case' 0 N--CA 1.517 2.884 1 CA-C-N 128.965 5.348 . . . . 0.0 110.497 168.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.61 -46.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 128.474 2.71 . . . . 0.0 110.179 173.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.333 69.2 mtt180 -67.3 -26.57 66.59 Favored 'General case' 0 C--N 1.382 1.979 0 CA-C-N 122.209 2.277 . . . . 0.0 116.506 172.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.337 1.4 p30 -77.34 -30.64 54.0 Favored 'General case' 0 C--N 1.358 0.935 1 O-C-N 116.217 -4.052 . . . . 0.0 112.467 165.954 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' HB3' HG21 ' A' ' 27' ' ' VAL . 17.9 m -57.09 -17.42 10.46 Favored 'General case' 0 C--N 1.372 1.568 0 N-CA-C 118.848 2.907 . . . . 0.0 118.848 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -23.22 64.3 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 125.542 1.537 . . . . 0.0 111.03 177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mp -156.38 126.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 126.742 2.017 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.63 28.95 Favored Pre-proline 0 CA--C 1.576 1.944 1 N-CA-C 123.279 4.548 . . . . 0.0 123.279 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -85.81 -129.02 0.01 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.35 4.033 . . . . 0.0 115.982 -169.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.479 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.4 t60 -76.47 -27.49 56.16 Favored 'General case' 0 C--N 1.366 1.285 0 C-N-CA 129.55 3.14 . . . . 0.0 114.148 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -84.32 6.51 22.74 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 130.326 3.451 . . . . 0.0 111.35 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.598 ' HD3' ' H ' ' A' ' 61' ' ' LYS 0.281 0.0 OUTLIER -46.85 -56.71 5.85 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 129.939 3.296 . . . . 0.0 116.327 -176.542 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.681 7.2 tmtt? -67.45 -24.41 65.62 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 127.518 2.327 . . . . 0.0 116.544 176.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -51.62 -18.17 1.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 119.879 3.289 . . . . 0.0 119.879 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.294 44.1 mtm -115.3 3.32 14.21 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 121.147 -0.971 . . . . 0.0 111.208 167.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.9 tttt -72.13 -30.56 65.16 Favored 'General case' 0 C--N 1.38 1.912 0 O-C-N 118.892 -2.38 . . . . 0.0 109.909 174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 122.723 1.249 . . . . 0.0 114.233 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.87 -32.35 33.84 Favored 'Isoleucine or valine' 0 C--N 1.366 1.308 0 C-N-CA 129.403 3.081 . . . . 0.0 110.735 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.566 ' CH2' HG21 ' A' ' 24' ' ' ILE . 71.6 t-105 -53.57 -32.57 51.4 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 130.048 3.339 . . . . 0.0 114.702 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -54.78 -44.43 73.7 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 131.138 3.775 . . . . 0.0 112.048 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -77.39 -45.2 26.7 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.936 2.495 . . . . 0.0 114.283 166.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.76 -37.89 60.15 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 -178.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.2 t -51.93 -34.15 16.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.4 1 C-N-CA 131.87 4.068 . . . . 0.0 113.847 169.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -58.14 -41.34 83.47 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 126.989 2.115 . . . . 0.0 111.767 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HB2' HG11 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -68.6 -53.64 21.47 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 129.679 3.192 . . . . 0.0 113.175 168.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . 0.257 11.7 tp -50.88 -54.44 23.94 Favored 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . 0.264 . . -68.88 -12.41 61.54 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 129.053 2.941 . . . . 0.0 117.252 -172.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.68 -10.75 53.08 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 120.707 -1.246 . . . . 0.0 112.139 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -142.04 -23.95 0.69 Allowed 'General case' 0 C--N 1.361 1.08 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.78 141.94 27.22 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.361 -2.087 . . . . 0.0 114.223 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.9 t -157.03 73.78 0.76 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.404 2.282 . . . . 0.0 105.614 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -94.39 35.32 1.21 Allowed 'General case' 0 C--N 1.364 1.201 0 C-N-CA 125.817 1.647 . . . . 0.0 113.702 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 96' ' ' TRP . 1.2 t -154.57 154.88 6.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.746 1 N-CA-C 98.961 -4.459 . . . . 0.0 98.961 174.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -97.0 138.37 34.63 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 128.933 2.893 . . . . 0.0 112.758 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 129.65 45.23 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 125.166 1.386 . . . . 0.0 108.63 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.23 147.66 32.65 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.42 1.088 . . . . 0.0 110.87 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 116.21 30.7 Favored 'General case' 0 C--N 1.365 1.257 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -131.47 147.86 52.59 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.951 -1.718 . . . . 0.0 109.926 -170.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -89.24 120.2 30.39 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.922 1.289 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.13 122.74 42.07 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.22 22.11 70.65 Favored Glycine 0 N--CA 1.501 2.997 0 C-N-CA 125.407 1.479 . . . . 0.0 114.306 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.06 11.86 72.19 Favored Glycine 0 C--N 1.355 1.635 0 C-N-CA 125.437 1.494 . . . . 0.0 115.052 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.76 136.11 47.32 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 120.722 2.261 . . . . 0.0 110.321 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -93.42 110.27 21.83 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 129.661 3.184 . . . . 0.0 112.043 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -124.97 170.26 11.29 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.22 1.408 . . . . 0.0 107.285 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tp -95.51 130.05 42.48 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 121.114 -0.991 . . . . 0.0 108.629 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.86 159.37 41.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 107.641 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.406 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.0 137.89 51.7 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 176.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.37 157.75 45.07 Favored 'General case' 0 C--N 1.368 1.398 0 O-C-N 118.492 -2.63 . . . . 0.0 109.836 -170.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.488 ' CZ2' ' HB2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -82.85 130.31 35.12 Favored 'General case' 0 C--N 1.368 1.37 1 N-CA-C 124.382 4.956 . . . . 0.0 124.382 -172.12 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 16.1 pt -124.71 129.61 73.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.594 0 C-N-CA 128.302 2.641 . . . . 0.0 104.998 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.29 107.12 30.16 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 126.896 2.078 . . . . 0.0 109.502 -171.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -70.18 144.51 51.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 124.421 3.414 . . . . 0.0 114.743 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.317 53.8 p 82.04 161.48 0.14 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.653 1.981 . . . . 0.0 114.588 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . 0.264 . . 60.72 -35.0 0.08 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 119.979 3.326 . . . . 0.0 119.979 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.5 m -91.1 -44.25 9.39 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.262 2.225 . . . . 0.0 111.324 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.79 82.58 8.37 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.126 2.171 . . . . 0.0 111.972 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -132.58 140.33 48.21 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -156.76 167.53 30.17 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.3 mm -120.65 137.38 54.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.046 0 C-N-CA 127.049 2.139 . . . . 0.0 106.185 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -153.53 0.44 Allowed 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.712 2.005 . . . . 0.0 110.931 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.88 -34.76 72.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 126.492 1.917 . . . . 0.0 116.144 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.7 tp -113.26 102.22 54.51 Favored Pre-proline 0 C--N 1.355 0.812 0 C-N-CA 126.026 1.73 . . . . 0.0 108.181 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.98 85.24 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.035 1 C-N-CA 126.068 4.512 . . . . 0.0 113.811 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 m -91.1 69.19 6.18 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.664 2.386 . . . . 0.0 113.035 -171.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.32 168.76 26.02 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.47 1.508 . . . . 0.0 108.507 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.3 p -120.28 149.28 23.06 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 126.25 1.82 . . . . 0.0 106.531 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -12.62 -66.01 0.01 OUTLIER 'General case' 0 C--N 1.366 1.291 1 C-N-CA 133.852 4.861 . . . . 0.0 121.263 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -134.84 143.36 46.98 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 120.758 -1.214 . . . . 0.0 108.875 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.69 -58.31 0.31 Allowed Glycine 0 C--N 1.351 1.397 0 N-CA-C 105.823 -2.911 . . . . 0.0 105.823 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -81.74 -94.99 0.05 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 127.296 2.238 . . . . 0.0 114.456 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.62 -121.76 0.23 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.805 1.242 . . . . 0.0 113.702 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -144.17 170.03 16.74 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.854 2.061 . . . . 0.0 105.693 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -144.85 132.49 21.0 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 tp 75.79 -60.06 0.5 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 128.3 2.64 . . . . 0.0 113.607 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.23 135.8 33.17 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.847 2.459 . . . . 0.0 110.319 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 71.8 66.1 0.14 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 126.735 2.014 . . . . 0.0 113.989 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -78.65 72.89 5.19 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.835 1.654 . . . . 0.0 114.924 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.0 -161.77 0.85 Allowed 'General case' 0 C--N 1.356 0.867 0 C-N-CA 128.158 2.583 . . . . 0.0 107.027 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -108.61 172.2 6.98 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -56.36 30.75 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 128.165 2.586 . . . . 0.0 115.18 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.98 149.62 37.03 Favored 'Trans proline' 0 C--N 1.367 1.522 0 C-N-CA 124.257 3.305 . . . . 0.0 110.831 173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -131.49 -175.04 3.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.909 -1.745 . . . . 0.0 109.005 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.5 63.11 0.16 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 127.745 2.418 . . . . 0.0 117.481 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 . . . . . 0 C--N 1.361 1.08 0 C-N-CA 130.043 3.337 . . . . 0.0 112.299 -179.26 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.199 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -154.58 143.58 14.89 Favored Pre-proline 0 C--N 1.349 0.573 0 C-N-CA 126.32 1.848 . . . . 0.0 106.781 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -79.06 177.53 8.56 Favored 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 124.473 3.448 . . . . 0.0 111.749 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -102.28 165.27 11.22 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 122.773 1.273 . . . . 0.0 111.964 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -90.31 79.55 6.32 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.028 1.731 . . . . 0.0 106.616 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -96.05 44.94 1.07 Allowed 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.367 1.867 . . . . 0.0 115.857 -168.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.84 -95.51 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 132.974 4.51 . . . . 0.0 116.553 178.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 p -80.85 -13.01 59.32 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.034 2.934 . . . . 0.0 110.912 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.27 -26.14 67.96 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.994 3.318 . . . . 0.0 112.343 169.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.19 -14.28 1.08 Allowed 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.567 2.347 . . . . 0.0 116.196 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.16 -29.96 70.35 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 131.187 3.795 . . . . 0.0 113.49 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.77 -35.87 62.56 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 126.488 1.915 . . . . 0.0 111.924 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -70.33 -31.78 69.22 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 128.235 2.614 . . . . 0.0 117.087 173.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.382 1.4 p -79.5 -52.98 7.33 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -172.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 22.27 -126.45 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.365 1 N-CA-C 121.892 4.034 . . . . 0.0 121.892 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.14 23.66 1.05 Allowed 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 117.629 -3.169 . . . . 0.0 110.006 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.69 4.33 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -177.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.609 0.3 OUTLIER -76.8 -62.73 1.54 Allowed 'General case' 0 C--N 1.362 1.127 1 N-CA-C 130.652 7.278 . . . . 0.0 130.652 -170.614 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -103.43 -128.93 0.24 Allowed 'General case' 0 N--CA 1.478 0.973 0 O-C-N 119.279 -2.138 . . . . 0.0 115.306 -163.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -55.66 -24.45 34.01 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 130.381 3.472 . . . . 0.0 113.685 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -57.9 -33.9 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 127.948 2.499 . . . . 0.0 115.63 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -56.62 -40.54 69.8 Favored 'Isoleucine or valine' 0 C--N 1.371 1.536 0 C-N-CA 127.408 2.283 . . . . 0.0 116.618 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' CE ' ' A' ' 23' ' ' LYS 0.252 0.0 OUTLIER -74.55 -29.35 61.33 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.084 2.154 . . . . 0.0 115.591 174.124 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 54' ' ' LEU 0.312 0.8 OUTLIER -76.55 -36.64 28.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.388 0 C-N-CA 126.178 1.791 . . . . 0.0 114.715 177.718 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.328 4.9 pt -53.98 -30.01 19.25 Favored 'Isoleucine or valine' 0 C--N 1.378 1.807 0 C-N-CA 128.435 2.694 . . . . 0.0 113.829 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.77 -19.65 62.69 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 128.119 2.568 . . . . 0.0 115.247 171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.343 2.5 m -74.94 -54.08 15.06 Favored 'Isoleucine or valine' 0 C--N 1.385 2.139 0 CA-C-N 121.041 1.746 . . . . 0.0 110.556 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mm? -59.1 -48.82 80.2 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 127.327 2.251 . . . . 0.0 117.033 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -51.31 -26.93 8.25 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.699 2.0 . . . . 0.0 115.394 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 p -72.59 -52.84 13.8 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 129.331 3.053 . . . . 0.0 115.062 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 28' ' ' LEU 0.259 8.5 p80 -73.87 -30.49 62.66 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 128.233 2.613 . . . . 0.0 111.561 173.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.275 63.9 m-80 -65.57 -30.41 71.15 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.872 2.069 . . . . 0.0 116.082 170.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.33 -34.8 70.86 Favored 'General case' 0 C--N 1.37 1.483 0 O-C-N 116.568 -3.832 . . . . 0.0 114.254 171.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.255 . . -72.67 -24.84 61.08 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 129.153 2.981 . . . . 0.0 115.397 171.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 98' ' ' TRP . 8.2 p -56.42 -30.15 62.44 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.665 2.386 . . . . 0.0 114.883 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -11.29 0.18 Allowed 'General case' 0 C--N 1.373 1.601 0 C-N-CA 129.836 3.254 . . . . 0.0 115.51 172.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.05 -47.42 1.49 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 125.094 1.358 . . . . 0.0 110.464 -168.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -120.21 104.54 10.16 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.53 -39.89 0.22 Allowed 'General case' 0 C--N 1.357 0.925 1 C-N-CA 134.857 5.263 . . . . 0.0 116.259 -173.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 29.4 p30 -151.32 85.58 1.33 Allowed 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 126.73 2.012 . . . . 0.0 107.385 168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -14.56 63.08 Favored 'General case' 0 CA--C 1.58 2.133 0 O-C-N 118.255 -2.778 . . . . 0.0 115.998 169.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HB2' ' CE3' ' A' ' 98' ' ' TRP 0.299 0.0 OUTLIER -100.0 38.1 0.04 OUTLIER Pre-proline 0 C--N 1.361 1.091 1 C-N-CA 138.619 6.767 . . . . 0.0 111.283 168.16 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -49.7 -25.48 11.46 Favored 'Trans proline' 0 C--N 1.394 2.939 1 C-N-CA 128.398 6.065 . . . . 0.0 114.725 -165.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -157.56 148.65 21.47 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.05 2.54 . . . . 0.0 105.585 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtp -140.99 147.22 46.95 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 129.808 3.243 . . . . 0.0 107.309 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -80.26 173.21 12.78 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 CA-C-N 127.172 3.597 . . . . 0.0 110.42 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.399 0.7 OUTLIER -61.33 -45.58 94.95 Favored Pre-proline 0 C--N 1.378 1.816 0 O-C-N 119.848 -1.783 . . . . 0.0 112.692 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.016 3.4 Cg_endo -49.15 -14.7 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.209 1 C-N-CA 127.183 5.255 . . . . 0.0 119.433 156.03 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -59.27 -48.94 79.75 Favored 'General case' 0 N--CA 1.508 2.431 2 CA-C-N 129.521 5.6 . . . . 0.0 111.641 166.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.442 0.2 OUTLIER -77.06 -39.5 29.26 Favored 'Isoleucine or valine' 0 C--N 1.364 1.197 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 170.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 64' ' ' LYS 0.284 85.5 mtt180 -66.42 -39.11 88.76 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.712 1.596 . . . . 0.0 115.01 171.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -78.62 -16.39 57.41 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-N 125.009 3.549 . . . . 0.0 115.797 173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.26 9.5 m -56.99 -35.7 69.51 Favored 'General case' 0 C--N 1.366 1.313 0 N-CA-C 119.941 3.311 . . . . 0.0 119.941 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -67.08 -31.28 71.66 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 131.524 3.93 . . . . 0.0 112.101 -167.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -147.55 146.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 174.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -90.58 -41.91 0.4 Allowed Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 119.523 3.157 . . . . 0.0 119.523 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -89.72 -115.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 125.857 3.128 . . . . 0.0 114.355 -165.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.54 -37.55 56.48 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.686 3.194 . . . . 0.0 113.525 177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.18 6.14 34.49 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.766 2.027 . . . . 0.0 113.879 -176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -46.26 -45.38 17.13 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 129.048 2.939 . . . . 0.0 117.08 178.221 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.466 0.6 OUTLIER -69.77 -25.84 64.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.414 -2.054 . . . . 0.0 115.997 174.238 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.55 -26.98 67.3 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.786 2.435 . . . . 0.0 117.232 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.552 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.294 59.9 mtm -110.43 -1.26 17.15 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.636 -1.29 . . . . 0.0 108.143 164.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 61' ' ' LYS 0.283 0.8 OUTLIER -66.56 -48.53 69.35 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-O 124.441 2.067 . . . . 0.0 111.506 173.811 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.51 -31.09 65.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.867 2.867 . . . . 0.0 113.623 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 t -76.75 -39.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.372 1.552 0 C-N-CA 127.807 2.443 . . . . 0.0 111.084 168.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.6 t-105 -60.16 -33.26 71.93 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.519 2.327 . . . . 0.0 113.072 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -55.67 -39.51 71.06 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.651 1.98 . . . . 0.0 113.903 170.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -76.75 -53.76 7.54 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 129.759 3.224 . . . . 0.0 112.388 169.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -53.07 -32.15 45.52 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 128.243 2.617 . . . . 0.0 116.557 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.0 t -56.47 -32.62 36.8 Favored 'Isoleucine or valine' 0 C--N 1.373 1.591 1 C-N-CA 132.321 4.248 . . . . 0.0 113.014 169.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.47 -31.83 68.18 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 127.454 2.302 . . . . 0.0 111.758 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -76.33 -58.27 3.38 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.977 1.711 . . . . 0.0 114.698 165.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -50.01 57.1 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-N 122.884 2.584 . . . . 0.0 116.808 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.51 -11.45 24.14 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 130.74 3.616 . . . . 0.0 115.929 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.19 -6.59 59.02 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.927 1.691 . . . . 0.0 112.393 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -120.83 -124.79 0.27 Allowed 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.412 1.885 . . . . 0.0 107.895 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -124.69 127.93 48.04 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.738 -1.851 . . . . 0.0 107.69 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 p -104.69 -2.53 24.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.226 1.81 . . . . 0.0 110.823 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.347 4.2 tpm_? 61.61 -46.11 0.14 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 130.807 3.643 . . . . 0.0 116.592 -174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.312 23.3 m -89.3 147.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.365 1.269 0 C-N-CA 126.656 1.982 . . . . 0.0 111.068 174.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -122.33 145.97 47.76 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.204 2.202 . . . . 0.0 112.343 -167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.28 118.53 29.03 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 127.023 2.129 . . . . 0.0 110.548 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -127.95 148.19 50.5 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 m -99.23 111.46 23.83 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.522 1.529 . . . . 0.0 107.727 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -137.74 155.89 48.58 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 -175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -92.31 120.45 32.86 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.997 1.719 . . . . 0.0 114.747 -174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.01 121.53 38.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.098 1.359 . . . . 0.0 107.493 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.42 22.35 69.38 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 125.258 1.408 . . . . 0.0 114.48 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.26 73.54 Favored Glycine 0 C--N 1.355 1.622 0 C-N-CA 125.42 1.486 . . . . 0.0 114.954 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.5 137.54 50.87 Favored 'General case' 0 C--N 1.365 1.273 0 CA-C-N 120.863 2.332 . . . . 0.0 109.897 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.2 113.68 25.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 127.195 2.198 . . . . 0.0 113.112 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -124.82 168.49 13.16 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.551 -1.343 . . . . 0.0 109.359 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.35 111.4 22.96 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 125.691 1.596 . . . . 0.0 107.347 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -99.58 148.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.34 128.16 49.02 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 100.856 -3.757 . . . . 0.0 100.856 169.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -139.92 156.79 46.51 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 118.381 -2.699 . . . . 0.0 106.602 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CG ' HG12 ' A' ' 81' ' ' VAL . 1.5 t90 -110.76 144.13 40.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.707 1.603 . . . . 0.0 112.456 -173.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -125.19 135.16 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 128.609 2.764 . . . . 0.0 114.571 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 98.83 4.64 Favored Pre-proline 0 C--N 1.373 1.602 0 O-C-N 119.666 -1.896 . . . . 0.0 109.476 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -68.73 129.69 19.19 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 124.219 3.279 . . . . 0.0 116.146 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t 63.21 30.27 15.9 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.744 2.018 . . . . 0.0 115.153 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 74.57 -69.68 0.17 Allowed 'General case' 0 C--N 1.362 1.152 0 C-N-CA 128.351 2.66 . . . . 0.0 113.832 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.1 m -118.69 6.46 11.59 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 131.145 3.778 . . . . 0.0 111.66 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.254 68.6 m 74.72 -62.36 0.46 Allowed 'General case' 0 C--N 1.362 1.139 0 C-N-CA 127.461 2.304 . . . . 0.0 115.427 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -152.25 -38.95 0.11 Allowed 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.7 1.2 . . . . 0.0 111.974 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -104.06 119.96 40.06 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.028 1.331 . . . . 0.0 111.392 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.302 42.0 mm 85.82 137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.392 2.277 . . . . 0.0 110.881 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 109' ' ' LEU . 2.4 pt? -88.78 -169.18 2.44 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.668 1.587 . . . . 0.0 113.792 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.1 t -89.08 97.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 127.625 2.37 . . . . 0.0 108.191 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.2 mt -107.67 113.13 61.78 Favored Pre-proline 0 C--N 1.357 0.934 0 CA-C-O 116.594 -1.67 . . . . 0.0 108.071 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.43 -80.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 124.003 3.135 . . . . 0.0 110.071 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.6 m 140.35 -49.98 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 131.226 3.81 . . . . 0.0 106.441 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -159.41 178.93 9.4 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 102.707 -3.072 . . . . 0.0 102.707 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 5.7 m -96.45 -18.95 6.33 Favored 'Isoleucine or valine' 0 C--N 1.359 1.013 0 C-N-CA 125.794 1.637 . . . . 0.0 112.219 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 54.06 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.618 3.167 . . . . 0.0 117.486 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -120.18 8.22 10.89 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.407 2.283 . . . . 0.0 111.164 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -63.11 59.75 0.04 OUTLIER Glycine 0 C--N 1.366 2.248 0 N-CA-C 121.107 3.203 . . . . 0.0 121.107 -172.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -125.87 -12.96 6.45 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.439 -1.624 . . . . 0.0 114.339 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.25 52.97 0.18 Allowed 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.784 -1.822 . . . . 0.0 115.6 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -168.12 -52.37 0.02 OUTLIER 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.832 2.453 . . . . 0.0 108.685 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -102.85 120.8 41.25 Favored 'General case' 0 C--N 1.363 1.192 0 O-C-N 120.05 -1.656 . . . . 0.0 111.719 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.268 78.7 mt 75.42 -51.09 0.65 Allowed 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.2 1.8 . . . . 0.0 114.869 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.51 47.68 0.13 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 127.421 2.289 . . . . 0.0 114.936 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -123.84 -42.62 2.17 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 129.061 2.944 . . . . 0.0 105.449 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 2.57 1.04 Allowed 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.423 -0.798 . . . . 0.0 112.798 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 67.5 mt -135.88 162.87 31.6 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 120.012 -1.68 . . . . 0.0 109.133 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . 0.279 52.4 mt-10 86.15 138.63 0.05 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.753 2.821 . . . . 0.0 113.953 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -112.76 -48.89 0.06 OUTLIER Pre-proline 0 C--N 1.36 1.064 0 CA-C-O 116.002 -1.951 . . . . 0.0 116.115 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.04 -30.53 1.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 0 CA-C-N 125.912 3.147 . . . . 0.0 114.402 -174.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 80.07 84.26 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 128.682 2.793 . . . . 0.0 114.351 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -151.57 138.5 19.02 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.646 -1.612 . . . . 0.0 106.646 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.358 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.316 -177.264 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.174 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -175.9 160.13 1.94 Allowed Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 127.426 2.29 . . . . 0.0 105.403 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -78.84 -152.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 125.035 3.823 . . . . 0.0 114.673 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.6 145.7 24.39 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 124.903 1.281 . . . . 0.0 112.898 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -125.42 45.34 2.61 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.956 1.302 . . . . 0.0 110.37 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -82.95 18.9 1.49 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.782 2.433 . . . . 0.0 114.456 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.38 176.5 6.54 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 131.277 3.831 . . . . 0.0 113.643 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.7 t -80.1 -19.32 47.68 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.771 2.028 . . . . 0.0 113.093 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.417 83.0 mttt -71.16 -27.43 63.54 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 118.81 2.893 . . . . 0.0 118.81 -177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.03 -27.52 45.09 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.56 -33.61 74.38 Favored 'General case' 0 C--N 1.36 1.05 1 C-N-CA 133.797 4.839 . . . . 0.0 113.518 171.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.42 -37.63 65.33 Favored 'General case' 0 C--N 1.378 1.808 0 C-N-CA 128.31 2.644 . . . . 0.0 114.098 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.88 -25.35 67.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 129.078 2.951 . . . . 0.0 117.127 167.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.528 16.3 p -79.34 -28.35 42.07 Favored 'General case' 0 C--N 1.363 1.172 1 N-CA-C 123.261 4.541 . . . . 0.0 123.261 -169.776 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.8 58.31 0.0 OUTLIER 'General case' 0 C--N 1.365 1.248 0 N-CA-C 120.256 3.428 . . . . 0.0 120.256 -173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.35 84.5 mm-40 57.5 -20.35 0.02 OUTLIER 'General case' 0 C--N 1.355 0.83 2 N-CA-C 123.078 4.473 . . . . 0.0 123.078 174.931 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.66 98.84 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 -175.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.575 1.5 p90 -75.75 -62.43 1.59 Allowed 'General case' 0 C--N 1.365 1.245 1 N-CA-C 131.047 7.425 . . . . 0.0 131.047 -168.667 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.93 -139.23 0.18 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 119.872 -1.768 . . . . 0.0 114.354 -162.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -58.87 -23.45 60.9 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 131.583 3.953 . . . . 0.0 113.03 174.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.5 -33.46 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 128.813 2.845 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.34 -34.95 23.42 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 126.939 2.095 . . . . 0.0 114.898 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.3 mppt? -71.08 -43.84 66.93 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 128.322 2.649 . . . . 0.0 114.195 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.367 8.9 mt -76.07 -36.15 30.59 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 C-N-CA 128.31 2.644 . . . . 0.0 112.992 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.9 OUTLIER -66.81 -31.03 51.66 Favored 'Isoleucine or valine' 0 C--N 1.374 1.639 0 O-C-N 120.184 -1.573 . . . . 0.0 111.629 169.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.374 1.66 0 O-C-N 120.578 -1.326 . . . . 0.0 113.355 168.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.46 -54.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.374 1.645 0 C-N-CA 128.6 2.76 . . . . 0.0 110.851 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 81' ' ' VAL . 1.4 mm? -64.9 -50.98 64.41 Favored 'General case' 0 C--N 1.378 1.829 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 176.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.16 -27.03 42.67 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 127.245 2.218 . . . . 0.0 116.712 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.3 m -70.64 -47.24 61.01 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 128.112 2.565 . . . . 0.0 114.142 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' HE1' ' CE1' ' A' ' 49' ' ' HIS . 2.9 m-70 -60.49 -32.99 71.96 Favored 'General case' 0 C--N 1.373 1.621 0 C-N-CA 126.868 2.067 . . . . 0.0 112.406 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.489 62.7 m-80 -65.04 -29.09 69.96 Favored 'General case' 0 C--N 1.354 0.776 1 C-N-CA 132.275 4.23 . . . . 0.0 119.803 -176.145 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -72.31 -44.97 61.93 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.75 -1.844 . . . . 0.0 115.258 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.253 . . -72.74 -24.61 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.133 2.973 . . . . 0.0 115.64 173.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -55.69 -33.0 63.77 Favored 'General case' 0 CA--C 1.501 -0.928 1 C-N-CA 132.015 4.126 . . . . 0.0 113.488 -179.52 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -11.98 0.26 Allowed 'General case' 0 C--N 1.37 1.5 0 C-N-CA 128.444 2.697 . . . . 0.0 116.611 172.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -125.98 -47.5 1.64 Allowed 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.739 1.616 . . . . 0.0 111.147 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -117.96 97.84 6.03 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 -174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.3 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 1 C-N-CA 135.85 5.66 . . . . 0.0 118.22 -175.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 1.8 p30 -152.42 84.26 1.25 Allowed 'General case' 0 N--CA 1.428 -1.573 1 C-N-CA 132.344 4.258 . . . . 0.0 109.703 167.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.25 0.5 OUTLIER -70.12 -18.42 63.23 Favored 'General case' 0 C--N 1.373 1.629 0 O-C-N 118.062 -2.899 . . . . 0.0 116.791 169.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -100.06 37.56 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.118 1 C-N-CA 138.339 6.655 . . . . 0.0 110.814 171.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 17.9 Cg_endo -41.92 -31.16 1.37 Allowed 'Trans proline' 0 C--N 1.401 3.296 1 C-N-CA 130.681 7.587 . . . . 0.0 116.212 -159.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -158.05 165.47 34.96 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 131.267 3.827 . . . . 0.0 104.516 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.65 155.98 26.19 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 130.127 3.371 . . . . 0.0 106.381 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 39.3 Cg_endo -77.92 174.64 12.24 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 124.588 3.526 . . . . 0.0 109.609 165.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.386 1.2 mt -64.54 -51.85 56.56 Favored Pre-proline 0 C--N 1.369 1.417 0 O-C-N 119.222 -2.174 . . . . 0.0 112.183 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.946 6.1 Cg_endo -49.91 -15.27 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 127.372 5.381 . . . . 0.0 119.849 161.008 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HE1' ' A' ' 31' ' ' HIS . 2.2 t-80 -56.41 -43.55 79.45 Favored 'General case' 0 N--CA 1.514 2.726 2 CA-C-N 129.261 5.482 . . . . 0.0 111.689 167.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.24 -50.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 127.215 2.206 . . . . 0.0 111.037 171.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.268 53.3 mtt180 -71.75 -27.24 62.84 Favored 'General case' 0 C--N 1.375 1.716 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 174.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -78.4 -15.33 58.79 Favored 'General case' 0 N--CA 1.483 1.213 1 O-C-N 115.191 -4.693 . . . . 0.0 115.019 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.5 m -90.73 -15.41 30.28 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 131.204 3.802 . . . . 0.0 118.322 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.29 -18.04 65.12 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.46 2.704 . . . . 0.0 112.111 -173.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.621 HD13 ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -144.3 160.46 15.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 100.331 -3.952 . . . . 0.0 100.331 172.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -90.11 -61.67 0.21 Allowed Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.76 2.424 . . . . 0.0 116.865 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -79.24 -149.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 1 C-N-CA 126.595 4.863 . . . . 0.0 114.238 -175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -55.81 -26.56 46.93 Favored 'General case' 0 C--N 1.368 1.399 1 C-N-CA 131.989 4.115 . . . . 0.0 116.28 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -85.46 6.52 26.5 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 129.5 3.12 . . . . 0.0 111.691 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER -61.85 -53.98 48.37 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.362 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.973 4.9 tmtm? -57.17 -25.56 59.16 Favored 'General case' 0 C--N 1.372 1.548 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -51.83 -32.81 33.27 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.39 11.7 mtm -103.79 -0.84 28.77 Favored 'General case' 0 C--N 1.376 1.721 0 O-C-N 120.273 -1.517 . . . . 0.0 113.142 172.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 21.1 tttm -72.22 -31.14 65.58 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 125.722 1.609 . . . . 0.0 110.608 171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.76 -45.79 77.41 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.626 1.57 . . . . 0.0 114.804 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.537 2.4 p -68.36 -29.97 46.01 Favored 'Isoleucine or valine' 0 C--N 1.382 2.0 0 C-N-CA 128.514 2.726 . . . . 0.0 111.887 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 70.9 t-105 -51.27 -32.6 25.18 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 125.719 1.608 . . . . 0.0 115.163 172.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.75 -38.6 85.72 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.008 2.523 . . . . 0.0 113.785 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -77.42 -49.1 15.57 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.13 1.772 . . . . 0.0 113.534 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.27 70.85 Favored 'General case' 0 C--N 1.366 1.323 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.301 9.4 p -57.79 -31.23 39.69 Favored 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 129.072 2.949 . . . . 0.0 114.307 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.78 -39.25 68.2 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 128.034 2.534 . . . . 0.0 112.348 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.38 -50.16 64.44 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 126.555 1.942 . . . . 0.0 113.274 165.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -34.39 28.77 Favored 'General case' 0 N--CA 1.517 2.925 0 C-N-CA 127.783 2.433 . . . . 0.0 114.794 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -11.38 2.96 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.204 2.602 . . . . 0.0 117.494 171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.2 8.24 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 125.019 1.328 . . . . 0.0 113.847 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.26 155.45 37.74 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 118.845 -2.409 . . . . 0.0 110.644 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.259 18.0 tt0 86.25 31.89 0.03 OUTLIER 'General case' 0 C--N 1.372 1.568 0 C-N-CA 126.527 1.931 . . . . 0.0 113.875 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -92.2 53.73 2.2 Favored 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.223 2.209 . . . . 0.0 110.405 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -96.54 3.91 52.35 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.788 2.035 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 96' ' ' TRP . 56.7 t -111.85 121.46 64.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 103.335 -2.839 . . . . 0.0 103.335 171.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -98.67 154.93 17.59 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 125.661 1.584 . . . . 0.0 113.702 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.89 127.29 44.77 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 126.537 1.935 . . . . 0.0 110.37 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -140.11 138.47 35.31 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.05 110.59 18.11 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.474 2.309 . . . . 0.0 105.149 166.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -132.01 139.76 48.71 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.62 -1.3 . . . . 0.0 108.476 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -91.91 117.1 29.48 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 125.815 1.646 . . . . 0.0 113.802 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.99 122.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.18 20.84 76.87 Favored Glycine 0 N--CA 1.499 2.891 0 C-N-CA 124.99 1.281 . . . . 0.0 113.503 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.92 16.06 68.6 Favored Glycine 0 C--N 1.357 1.729 0 C-N-CA 125.655 1.598 . . . . 0.0 115.016 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.5 136.27 39.26 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-N 120.515 2.158 . . . . 0.0 110.421 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.49 117.83 30.35 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.321 2.648 . . . . 0.0 113.202 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.48 -179.54 4.37 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.51 111.04 23.17 Favored 'General case' 0 C--N 1.364 1.23 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.95 154.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 3.6 t90 -118.47 142.63 47.38 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' C ' HG13 ' A' ' 81' ' ' VAL . 38.4 ptt180 -151.55 150.91 30.88 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 118.033 -2.917 . . . . 0.0 113.709 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.544 ' HB2' HG22 ' A' ' 81' ' ' VAL . 18.8 t90 -104.41 120.95 42.37 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 124.647 1.179 . . . . 0.0 111.777 -171.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.44 124.48 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 C-N-CA 128.344 2.658 . . . . 0.0 106.865 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' HG3' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -74.08 114.0 28.79 Favored Pre-proline 0 C--N 1.362 1.143 0 C-N-CA 128.97 2.908 . . . . 0.0 107.698 177.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -59.6 129.43 30.92 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 123.893 3.062 . . . . 0.0 117.098 -168.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.262 5.1 t 74.48 -1.47 3.07 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.698 1.999 . . . . 0.0 116.122 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 70.02 -43.93 0.55 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 129.377 3.071 . . . . 0.0 118.306 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.275 8.7 t 95.5 4.58 0.03 OUTLIER 'General case' 0 C--N 1.359 0.989 0 C-N-CA 129.271 3.028 . . . . 0.0 111.8 -177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.2 t 75.25 -52.78 0.66 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.185 2.594 . . . . 0.0 116.566 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.28 96.63 9.07 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.743 2.017 . . . . 0.0 112.102 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -159.05 -165.54 1.64 Allowed 'General case' 0 C--N 1.352 0.706 0 C-N-CA 126.083 1.753 . . . . 0.0 106.604 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.89 179.05 2.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 127.509 2.324 . . . . 0.0 105.152 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.54 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -97.63 -168.29 1.66 Allowed 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 110.869 177.522 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.266 4.3 p -79.45 4.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.238 0 N-CA-C 117.237 2.31 . . . . 0.0 117.237 -173.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.95 93.1 43.62 Favored Pre-proline 0 C--N 1.35 0.63 0 O-C-N 119.646 -1.909 . . . . 0.0 107.538 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.8 -25.25 6.49 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.329 3.353 . . . . 0.0 112.771 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.54 -56.52 0.51 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 128.787 2.835 . . . . 0.0 116.313 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -105.46 78.44 1.37 Allowed 'General case' 0 C--N 1.354 0.766 0 C-N-CA 126.598 1.959 . . . . 0.0 109.645 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.21 -4.69 6.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 C-N-CA 126.008 1.723 . . . . 0.0 114.423 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -135.52 137.13 41.78 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -102.17 25.52 8.75 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 125.985 1.714 . . . . 0.0 111.352 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.37 -21.13 73.62 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 126.809 2.147 . . . . 0.0 114.752 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -85.66 -3.73 58.96 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 128.641 2.776 . . . . 0.0 113.734 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.71 71.57 1.36 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 120.326 -1.484 . . . . 0.0 113.009 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -97.85 26.44 5.15 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 125.196 1.398 . . . . 0.0 111.293 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.58 165.67 12.22 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.626 2.771 . . . . 0.0 104.542 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.15 -161.37 0.17 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 74.05 -55.99 0.65 Allowed 'General case' 0 C--N 1.362 1.125 0 C-N-CA 128.816 2.846 . . . . 0.0 116.929 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -103.86 124.29 48.68 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 125.517 1.527 . . . . 0.0 112.366 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -87.98 29.99 0.88 Allowed 'General case' 0 C--N 1.363 1.19 0 C-N-CA 125.786 1.635 . . . . 0.0 114.466 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.36 79.61 1.77 Allowed 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.105 1.762 . . . . 0.0 107.57 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -123.29 42.28 3.25 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 69.53 55.91 0.53 Allowed Pre-proline 0 C--N 1.358 0.975 0 C-N-CA 130.097 3.359 . . . . 0.0 114.647 -175.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -87.17 59.13 3.63 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 124.092 3.195 . . . . 0.0 109.946 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -127.81 90.28 3.08 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.228 1.011 . . . . 0.0 109.507 -174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -147.11 145.73 29.7 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 125.216 1.407 . . . . 0.0 107.409 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.289 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -156.01 144.26 14.43 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.201 1.8 . . . . 0.0 106.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 175.06 11.07 Favored 'Trans proline' 0 CA--C 1.549 1.239 0 C-N-CA 124.429 3.419 . . . . 0.0 111.935 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -91.52 -22.9 20.13 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.239 1.815 . . . . 0.0 114.791 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.449 2.4 p90 61.77 16.24 7.7 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.545 3.538 . . . . 0.0 117.808 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -66.47 47.17 0.03 OUTLIER 'General case' 0 C--N 1.354 0.768 1 C-N-CA 131.784 4.034 . . . . 0.0 118.999 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -160.63 0.66 Allowed 'General case' 0 N--CA 1.432 -1.359 1 C-N-CA 133.303 4.641 . . . . 0.0 112.388 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.82 -57.97 10.4 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 131.269 3.828 . . . . 0.0 119.176 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.401 48.0 mttp -71.54 -29.03 64.3 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -176.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.23 -15.05 5.04 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 128.373 2.669 . . . . 0.0 115.503 174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.49 -28.98 70.03 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 129.312 3.045 . . . . 0.0 113.126 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.11 -34.97 66.48 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 119.971 -1.705 . . . . 0.0 112.48 175.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -73.16 -46.8 48.77 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 128.415 2.686 . . . . 0.0 115.397 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -78.75 -36.4 43.18 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 129.686 3.194 . . . . 0.0 115.0 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? 21.11 -63.53 0.0 OUTLIER 'General case' 0 C--N 1.361 1.074 2 C-N-CA 134.294 5.038 . . . . 0.0 121.862 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -83.81 1.51 42.69 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.806 1.643 . . . . 0.0 114.904 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.509 1.524 . . . . 0.0 112.197 172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -63.03 -17.45 62.24 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 128.524 2.73 . . . . 0.0 115.515 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -86.23 -81.55 0.21 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.962 2.105 . . . . 0.0 111.772 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.298 0.0 OUTLIER -77.38 -33.71 55.11 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.768 1.0 OUTLIER -68.53 -30.39 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 118.879 -2.388 . . . . 0.0 116.775 -173.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.27 4.7 p -51.98 -36.02 19.31 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 C-N-CA 127.059 2.144 . . . . 0.0 115.714 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -31.68 63.93 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 119.816 -1.802 . . . . 0.0 115.008 168.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.549 HD13 HH21 ' A' ' 51' ' ' ARG 0.348 2.0 mt -76.24 -41.15 36.77 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 127.427 2.291 . . . . 0.0 113.471 178.081 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.259 4.8 pt -68.32 -30.56 48.12 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.671 1.588 . . . . 0.0 111.269 172.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -69.35 -33.1 72.57 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 126.221 1.809 . . . . 0.0 112.848 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 53' ' ' SER 0.421 17.6 m -63.77 -41.62 93.18 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 CA-C-N 121.477 1.944 . . . . 0.0 113.002 169.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.92 -48.46 81.73 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -51.65 -26.32 8.84 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.896 2.478 . . . . 0.0 117.237 169.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -76.19 -52.52 9.89 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 130.094 3.358 . . . . 0.0 115.824 -167.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -77.11 -31.53 55.89 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 125.052 1.341 . . . . 0.0 110.438 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -63.31 -33.57 75.81 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.25 1.82 . . . . 0.0 115.806 173.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.04 -34.78 69.05 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.685 -2.51 . . . . 0.0 114.695 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.301 . . -74.08 -25.47 59.84 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 128.054 2.542 . . . . 0.0 115.77 167.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.265 1.1 p -56.18 -31.76 63.72 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.142 2.177 . . . . 0.0 114.85 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 3.0 pp0? -52.58 -9.79 0.13 Allowed 'General case' 0 C--N 1.373 1.589 0 C-N-CA 131.029 3.732 . . . . 0.0 116.983 172.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.25 -47.55 1.33 Allowed 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 127.605 2.362 . . . . 0.0 110.918 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -121.57 103.43 8.9 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -28.57 -48.61 0.06 Allowed 'General case' 0 C--N 1.353 0.753 1 C-N-CA 137.403 6.281 . . . . 0.0 117.781 -168.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.259 0.1 OUTLIER -153.96 84.97 1.15 Allowed 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 102.078 -3.304 . . . . 0.0 102.078 169.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 41' ' ' LEU 0.3 1.8 pt? -64.66 -23.61 67.31 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.314 8.0 mt-30 -91.03 36.69 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.787 2 C-N-CA 134.597 5.159 . . . . 0.0 113.142 173.222 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -39.61 -24.95 0.12 Allowed 'Trans proline' 0 C--N 1.395 3.016 2 CA-C-N 133.767 5.953 . . . . 0.0 122.265 -143.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -162.19 137.99 7.5 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.72 141.7 42.5 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-O 117.343 -1.313 . . . . 0.0 111.317 171.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.61 175.4 10.26 Favored 'Trans proline' 0 C--N 1.37 1.674 1 C-N-CA 125.411 4.074 . . . . 0.0 113.026 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' HB ' ' HD3' ' A' ' 48' ' ' PRO . 47.3 mm -60.17 -53.86 60.91 Favored Pre-proline 0 C--N 1.385 2.149 0 C-N-CA 125.737 1.615 . . . . 0.0 110.047 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 47' ' ' ILE 1.074 38.6 Cg_endo -50.58 -16.25 2.11 Favored 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.073 4.515 . . . . 0.0 122.294 155.955 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.4 0.9 OUTLIER -74.24 -47.11 37.29 Favored 'General case' 0 N--CA 1.509 2.515 1 CA-C-N 130.532 6.06 . . . . 0.0 109.154 169.968 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.83 -33.32 52.08 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-N 120.583 1.538 . . . . 0.0 112.325 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.659 ' O ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -70.16 -54.81 11.29 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 168.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.89 -12.04 0.74 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 125.095 3.589 . . . . 0.0 116.248 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.874 ' HB3' HG11 ' A' ' 27' ' ' VAL . 25.6 m -92.34 -17.65 24.41 Favored 'General case' 0 N--CA 1.415 -2.215 1 C-N-CA 132.313 4.245 . . . . 0.0 113.998 -175.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -67.52 -26.19 66.22 Favored 'General case' 0 C--N 1.383 2.043 0 C-N-CA 126.65 1.98 . . . . 0.0 111.163 -171.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.6 OUTLIER -149.89 157.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 1 N-CA-C 97.409 -5.034 . . . . 0.0 97.409 172.831 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -90.47 -48.28 0.37 Allowed Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 9.7 Cg_endo -92.37 -126.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 CA-C-N 124.982 2.815 . . . . 0.0 112.536 -164.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 48.5 t60 -74.83 -27.56 60.33 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 129.311 3.044 . . . . 0.0 112.898 177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.13 0.95 22.84 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.155 3.382 . . . . 0.0 111.939 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.95 -59.56 4.38 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.402 2.681 . . . . 0.0 115.269 175.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.849 9.5 tmtt? -57.85 -25.88 61.31 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 118.864 -2.398 . . . . 0.0 117.239 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -54.67 -26.1 31.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.538 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.59 44.7 mtm -110.39 0.59 17.97 Favored 'General case' 0 C--N 1.37 1.483 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.655 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 23.5 tttm -73.14 -40.78 64.61 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 128.181 2.593 . . . . 0.0 108.926 171.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.4 -29.72 66.42 Favored 'General case' 0 C--N 1.368 1.405 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.463 9.8 p -75.5 -30.85 22.6 Favored 'Isoleucine or valine' 0 C--N 1.375 1.716 0 O-C-N 119.366 -2.084 . . . . 0.0 111.023 170.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 t-105 -51.29 -32.37 24.58 Favored 'General case' 0 C--N 1.376 1.752 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 174.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.43 -42.58 70.68 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 129.929 3.291 . . . . 0.0 112.113 173.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -77.91 -47.68 18.1 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.172 2.589 . . . . 0.0 114.612 165.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -61.56 -32.91 73.01 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 67' ' ' TRP . 64.7 t -51.79 -41.37 29.48 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 129.791 3.237 . . . . 0.0 113.753 170.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -55.71 -42.34 75.11 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 128.729 2.812 . . . . 0.0 112.495 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.7 -57.73 3.69 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 129.993 3.317 . . . . 0.0 115.8 168.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.0 -39.77 90.96 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.419 1.918 . . . . 0.0 116.126 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -12.55 11.2 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.28 59.75 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.374 1.87 . . . . 0.0 113.428 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -115.6 17.63 16.19 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.39 1.476 . . . . 0.0 112.149 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.282 9.4 tt0 74.37 -140.75 0.03 OUTLIER 'General case' 0 C--N 1.364 1.202 0 C-N-CA 127.947 2.499 . . . . 0.0 117.206 176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -175.82 -176.14 0.82 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 104.995 -2.224 . . . . 0.0 104.995 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -121.57 -50.46 2.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.552 3.141 . . . . 0.0 107.13 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 98' ' ' TRP . 24.2 m -83.63 140.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.384 2.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.255 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -119.61 141.54 49.21 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.566 1.546 . . . . 0.0 112.222 -168.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.41 114.08 19.92 Favored 'General case' 0 C--N 1.374 1.672 0 C-N-CA 127.03 2.132 . . . . 0.0 112.968 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -114.5 146.62 40.48 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.121 1.369 . . . . 0.0 107.468 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 m -93.8 110.22 21.87 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -137.0 144.08 43.1 Favored 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 120.579 -1.326 . . . . 0.0 107.528 -170.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -85.58 123.0 30.49 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.835 1.654 . . . . 0.0 113.175 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.78 121.51 34.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 C-N-CA 125.059 1.344 . . . . 0.0 107.624 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.3 22.11 68.97 Favored Glycine 0 N--CA 1.502 3.083 0 C-N-CA 125.072 1.32 . . . . 0.0 114.597 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.41 4.05 68.66 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 125.18 1.372 . . . . 0.0 115.15 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.73 136.83 51.11 Favored 'General case' 0 C--N 1.367 1.337 0 CA-C-N 121.277 2.539 . . . . 0.0 109.754 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -97.17 121.72 39.38 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 126.383 1.873 . . . . 0.0 112.617 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -130.24 172.76 11.46 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.97 111.44 21.49 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -118.34 147.28 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.418 ' HZ3' HH12 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -100.74 132.25 46.22 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.9 ptt85 -146.24 154.66 41.98 Favored 'General case' 0 C--N 1.367 1.367 0 O-C-N 119.008 -2.307 . . . . 0.0 104.855 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.705 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.89 0.0 OUTLIER -123.69 148.62 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 1 N-CA-C 123.749 4.722 . . . . 0.0 123.749 -176.585 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.38 121.63 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 125.709 1.603 . . . . 0.0 111.576 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . 0.28 5.5 tm0? -97.58 104.94 22.98 Favored Pre-proline 0 C--N 1.379 1.865 0 CA-C-N 121.849 2.113 . . . . 0.0 106.97 168.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -75.69 135.22 17.6 Favored 'Trans proline' 0 C--N 1.365 1.404 0 C-N-CA 124.28 3.32 . . . . 0.0 113.085 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.7 t 78.0 45.86 0.07 Allowed 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.724 1.609 . . . . 0.0 114.982 173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.26 -49.71 32.83 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 117.33 2.344 . . . . 0.0 117.33 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.361 83.9 p 91.72 -112.62 0.0 OUTLIER 'General case' 0 C--N 1.368 1.385 0 C-N-CA 128.763 2.825 . . . . 0.0 113.571 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.15 -101.75 0.39 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.513 1.925 . . . . 0.0 108.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -169.66 150.63 4.09 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -126.03 40.59 3.7 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.105 . . . . 0.0 109.034 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.269 61.4 mt 84.56 98.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 128.215 2.606 . . . . 0.0 111.174 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 109' ' ' LEU 0.279 0.0 OUTLIER -58.82 43.9 0.0 OUTLIER 'General case' 0 C--N 1.361 1.082 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -176.07 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.347 10.0 t 70.09 80.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.038 0 C-N-CA 129.946 3.299 . . . . 0.0 115.084 175.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.4 mt -107.61 137.25 19.65 Favored Pre-proline 0 C--N 1.354 0.791 0 N-CA-C 103.31 -2.848 . . . . 0.0 103.31 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -50.72 -31.89 34.31 Favored 'Trans proline' 0 C--N 1.372 1.807 1 C-N-CA 126.286 4.657 . . . . 0.0 118.48 -169.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.1 m 71.07 69.27 0.17 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.631 2.372 . . . . 0.0 114.928 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.95 88.84 5.89 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.728 2.011 . . . . 0.0 112.856 -177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.19 171.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -113.71 108.17 16.76 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 173.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -90.17 -22.53 21.67 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 125.136 1.375 . . . . 0.0 111.552 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 112.8 -46.78 1.12 Allowed Glycine 0 C--N 1.357 1.702 0 C-N-CA 126.216 1.865 . . . . 0.0 112.829 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -77.9 -10.26 59.48 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.003 2.121 . . . . 0.0 116.518 -176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 53.76 0.61 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -100.98 -58.18 1.94 Allowed 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.463 1.905 . . . . 0.0 107.574 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -122.82 18.7 10.22 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.304 1.442 . . . . 0.0 109.437 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 71.82 -59.9 0.54 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.207 3.003 . . . . 0.0 114.749 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 52.3 m-20 90.17 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 130.618 3.567 . . . . 0.0 107.932 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -166.13 105.14 0.66 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.4 ptt85 -61.75 40.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.087 0 C-N-CA 130.484 3.514 . . . . 0.0 119.804 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.5 pp -110.03 23.37 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 119.641 -1.912 . . . . 0.0 111.679 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -132.84 -66.95 0.65 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 128.282 2.633 . . . . 0.0 106.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -121.7 97.16 46.78 Favored Pre-proline 0 C--N 1.357 0.919 0 C-N-CA 124.929 1.292 . . . . 0.0 107.871 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -82.58 -82.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 124.518 3.479 . . . . 0.0 110.533 175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -119.81 91.61 3.59 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.397 1.079 . . . . 0.0 108.114 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 74.63 -37.41 0.35 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.465 2.306 . . . . 0.0 117.11 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--N 1.363 1.184 0 C-N-CA 128.991 2.917 . . . . 0.0 114.797 178.291 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -172.41 154.16 3.08 Favored Pre-proline 0 C--N 1.345 0.378 0 N-CA-C 104.972 -2.233 . . . . 0.0 104.972 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -78.64 161.53 27.77 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.329 3.352 . . . . 0.0 113.921 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 64.53 -53.95 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 129.222 3.009 . . . . 0.0 117.372 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.5 t80 79.03 66.68 0.03 OUTLIER 'General case' 0 C--N 1.366 1.284 0 C-N-CA 129.645 3.178 . . . . 0.0 108.772 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -92.15 29.53 1.62 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.74 2.416 . . . . 0.0 115.964 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -47.2 -81.4 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 130.987 3.715 . . . . 0.0 117.9 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -99.67 -12.67 19.82 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 127.758 2.423 . . . . 0.0 109.146 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.292 99.4 mttt -49.22 -27.35 3.59 Favored 'General case' 0 C--N 1.369 1.433 0 N-CA-C 118.856 2.909 . . . . 0.0 118.856 -174.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -55.85 -14.72 2.57 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.265 2.226 . . . . 0.0 115.097 168.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -28.66 68.61 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 130.554 3.542 . . . . 0.0 112.468 166.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.34 -43.3 64.29 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 126.047 1.739 . . . . 0.0 112.192 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.2 -38.06 85.22 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 128.085 2.554 . . . . 0.0 116.135 171.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.251 16.4 p -79.13 -29.11 42.98 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 130.237 3.415 . . . . 0.0 115.313 174.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -40.84 127.17 2.57 Favored 'General case' 0 C--N 1.369 1.435 0 C-N-CA 130.946 3.698 . . . . 0.0 117.616 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 HE22 ' HB3' ' A' ' 20' ' ' MET . 1.1 tm0? 122.02 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 130.99 3.716 . . . . 0.0 105.596 -174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.8 ttm -49.93 -42.95 49.5 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.378 3.871 . . . . 0.0 113.588 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -66.86 -17.29 64.82 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 128.773 2.829 . . . . 0.0 113.666 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -96.43 -104.89 0.17 Allowed 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.583 2.753 . . . . 0.0 110.447 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.462 ' HB3' HE22 ' A' ' 16' ' ' GLN 0.342 1.7 tpt -54.94 -25.92 32.77 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 127.598 2.359 . . . . 0.0 117.328 -174.432 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.323 1.0 OUTLIER -70.99 -33.03 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 117.34 -3.35 . . . . 0.0 115.4 -179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -53.12 -36.83 25.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.968 2.507 . . . . 0.0 116.402 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -34.95 63.58 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 127.429 2.292 . . . . 0.0 114.912 173.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.514 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.553 11.1 mt -76.56 -34.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 O-C-N 119.78 -1.825 . . . . 0.0 114.814 179.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.28 1.3 pt -53.33 -29.72 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 119.34 -2.1 . . . . 0.0 114.477 171.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -62.54 -35.65 80.1 Favored 'General case' 0 C--N 1.371 1.517 0 C-N-CA 128.131 2.573 . . . . 0.0 114.86 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.306 0.4 OUTLIER -64.28 -46.19 93.99 Favored 'Isoleucine or valine' 0 C--N 1.396 2.59 0 CA-C-N 121.127 1.785 . . . . 0.0 110.35 170.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -51.51 64.77 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.325 2.25 . . . . 0.0 115.935 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -54.41 -27.18 35.07 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 128.41 2.684 . . . . 0.0 117.822 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -51.47 11.44 Favored 'General case' 0 N--CA 1.483 1.179 1 C-N-CA 131.957 4.103 . . . . 0.0 112.097 -176.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -56.34 -31.33 63.64 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 127.462 2.305 . . . . 0.0 111.747 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.296 1.8 m-80 -71.58 -31.24 66.73 Favored 'General case' 0 C--N 1.362 1.15 1 C-N-CA 132.257 4.223 . . . . 0.0 114.756 -176.981 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -71.71 -40.0 69.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.416 2.286 . . . . 0.0 112.126 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.83 -25.11 61.01 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 130.162 3.385 . . . . 0.0 115.244 168.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -69.98 -39.89 75.68 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.159 2.584 . . . . 0.0 115.529 -173.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -62.71 -11.23 16.04 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.543 2.737 . . . . 0.0 114.719 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -18.42 14.07 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 128.323 2.649 . . . . 0.0 111.501 -174.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 104' ' ' SER . 44.7 t-20 -139.43 172.42 12.84 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 119.61 -1.932 . . . . 0.0 110.139 -168.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -47.41 14.83 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.477 1.111 . . . . 0.0 112.803 171.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.443 1.0 OUTLIER -154.14 89.15 1.27 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.55 1.54 . . . . 0.0 110.107 171.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.348 0.0 OUTLIER -62.88 -28.17 69.85 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 124.103 3.138 . . . . 0.0 117.556 174.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 98' ' ' TRP 0.517 1.8 tp60 -98.94 39.06 0.03 OUTLIER Pre-proline 0 N--CA 1.441 -0.892 1 C-N-CA 137.857 6.463 . . . . 0.0 115.589 171.344 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -43.06 -30.92 2.15 Favored 'Trans proline' 0 C--N 1.399 3.217 1 C-N-CA 130.27 7.313 . . . . 0.0 116.125 -164.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -153.8 158.41 40.85 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.352 3.861 . . . . 0.0 104.735 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.255 11.7 ttt -156.98 128.12 3.69 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.759 -2.067 . . . . 0.0 110.548 -170.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.68 167.26 27.0 Favored 'Trans proline' 0 C--N 1.361 1.229 1 CA-C-N 129.1 4.286 . . . . 0.0 110.967 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.442 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.356 2.8 mt -63.12 -48.06 84.59 Favored Pre-proline 0 C--N 1.365 1.27 0 O-C-N 119.933 -1.73 . . . . 0.0 110.634 176.02 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.867 6.9 Cg_endo -49.49 -13.63 0.48 Allowed 'Trans proline' 0 C--N 1.366 1.496 1 C-N-CA 128.195 5.93 . . . . 0.0 119.974 158.837 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -56.8 -47.93 79.11 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 124.582 3.355 . . . . 0.0 110.39 172.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.413 0.3 OUTLIER -77.9 -51.8 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 C-N-CA 130.058 3.343 . . . . 0.0 110.184 169.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.374 37.1 mtm180 -60.28 -16.56 35.25 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 172.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.27 -14.47 59.74 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 116.545 -3.847 . . . . 0.0 114.602 165.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -91.39 -14.96 29.71 Favored 'General case' 0 C--N 1.373 1.619 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -65.85 -25.76 67.34 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 120.92 1.691 . . . . 0.0 111.746 -168.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.7 mp -155.07 128.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 1 C-N-CA 134.622 5.169 . . . . 0.0 103.52 174.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.39 -52.73 51.45 Favored Pre-proline 0 CA--C 1.559 1.307 0 N-CA-C 121.589 3.922 . . . . 0.0 121.589 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 55' ' ' ILE . 20.5 Cg_endo -86.04 -122.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.927 3.085 . . . . 0.0 114.423 -166.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 7.4 p-80 -76.27 -26.48 55.99 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 131.672 3.989 . . . . 0.0 116.001 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -85.57 6.79 25.69 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 129.002 2.921 . . . . 0.0 111.863 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -60.8 -40.16 91.64 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.562 1.945 . . . . 0.0 115.377 177.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' H ' ' HD3' ' A' ' 60' ' ' ARG 1.27 0.0 OUTLIER -63.77 -25.76 68.33 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 118.596 -2.565 . . . . 0.0 115.913 176.854 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -62.89 -32.93 74.29 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.376 48.6 mtm -111.22 5.06 19.7 Favored 'General case' 0 C--N 1.367 1.334 0 O-C-N 119.57 -1.956 . . . . 0.0 109.706 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -37.47 67.79 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.812 -1.805 . . . . 0.0 109.613 171.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -66.28 -36.36 82.77 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.97 1.708 . . . . 0.0 114.424 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.253 4.7 p -75.99 -31.86 22.52 Favored 'Isoleucine or valine' 0 C--N 1.38 1.909 0 C-N-CA 127.34 2.256 . . . . 0.0 111.042 172.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CD1' ' HG2' ' A' ' 51' ' ' ARG . 65.6 t-105 -53.72 -36.37 62.18 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 127.064 2.146 . . . . 0.0 113.046 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -54.66 -42.83 71.8 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.83 2.852 . . . . 0.0 113.53 172.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -49.65 14.56 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.279 2.632 . . . . 0.0 113.71 169.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.76 50.53 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.312 3.045 . . . . 0.0 115.967 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.11 -32.88 45.25 Favored 'Isoleucine or valine' 0 C--N 1.368 1.409 0 C-N-CA 130.703 3.601 . . . . 0.0 113.42 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -60.12 -36.58 77.8 Favored 'General case' 0 C--N 1.374 1.652 0 C-N-CA 126.833 2.053 . . . . 0.0 112.247 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -76.37 -55.87 5.15 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 131.191 3.796 . . . . 0.0 113.029 167.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -40.8 82.82 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 119.149 -2.219 . . . . 0.0 116.107 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.18 -11.73 59.74 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.56 7.97 3.27 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.809 2.444 . . . . 0.0 116.178 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -133.22 174.68 10.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.876 2.07 . . . . 0.0 106.751 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -111.34 134.08 53.19 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.973 1.309 . . . . 0.0 107.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.6 t -140.78 -163.54 1.56 Allowed 'General case' 0 C--N 1.353 0.733 0 C-N-CA 123.891 0.877 . . . . 0.0 108.745 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -95.7 5.43 51.42 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.269 0.3 OUTLIER -109.5 139.7 31.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 O-C-N 120.026 -1.671 . . . . 0.0 109.922 173.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.73 138.07 54.17 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.591 1.957 . . . . 0.0 110.937 -175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.43 138.32 42.83 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 126.229 1.812 . . . . 0.0 111.38 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.28 162.69 39.0 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.347 1.059 . . . . 0.0 109.275 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.4 111.27 23.66 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 170.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -138.99 146.37 40.81 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.876 -1.14 . . . . 0.0 110.883 -168.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -84.49 120.42 26.29 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.19 2.196 . . . . 0.0 111.448 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.18 117.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 C-N-CA 125.479 1.512 . . . . 0.0 107.575 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.76 78.51 Favored Glycine 0 N--CA 1.499 2.878 0 C-N-CA 124.429 1.014 . . . . 0.0 113.791 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.3 11.12 67.35 Favored Glycine 0 C--N 1.355 1.618 0 C-N-CA 125.439 1.495 . . . . 0.0 115.491 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.7 137.15 36.54 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 120.926 2.363 . . . . 0.0 108.375 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -98.44 122.96 42.28 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 125.745 1.618 . . . . 0.0 113.685 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.42 172.71 8.94 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 -177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.9 tp -92.76 113.82 26.2 Favored 'General case' 0 C--N 1.373 1.63 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 p -132.4 151.42 34.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 125.841 1.656 . . . . 0.0 108.003 -165.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -103.52 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -157.94 154.01 27.14 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.001 -1.687 . . . . 0.0 107.157 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -92.99 117.89 30.56 Favored 'General case' 0 C--N 1.372 1.585 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.51 129.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.364 1.196 0 C-N-CA 127.358 2.263 . . . . 0.0 107.307 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -146.85 153.37 46.05 Favored Pre-proline 0 C--N 1.353 0.722 0 CA-C-O 117.084 -1.436 . . . . 0.0 110.652 -164.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.34 158.59 54.35 Favored 'Trans proline' 0 C--N 1.378 2.128 1 C-N-CA 126.409 4.739 . . . . 0.0 117.846 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.306 5.6 t 84.56 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.759 2.424 . . . . 0.0 114.86 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -144.86 69.93 1.26 Allowed 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.369 -1.457 . . . . 0.0 112.975 -175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' ASN . 1.7 m -95.46 -136.22 0.22 Allowed 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.022 -1.049 . . . . 0.0 111.924 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.6 p -156.37 174.66 15.08 Favored 'General case' 0 C--N 1.361 1.098 0 O-C-N 119.786 -1.822 . . . . 0.0 107.689 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.09 143.74 29.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.943 1.697 . . . . 0.0 106.773 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -113.98 -0.03 14.21 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.754 1.622 . . . . 0.0 112.762 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.335 46.9 mt 86.36 117.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 131.151 3.78 . . . . 0.0 111.236 -177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.89 -58.32 3.35 Favored 'General case' 0 C--N 1.366 1.292 0 N-CA-C 117.981 2.586 . . . . 0.0 117.981 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.257 45.7 t 85.88 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 130.191 3.396 . . . . 0.0 107.838 -169.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 111' ' ' ILE . 1.3 mp -65.64 120.81 71.52 Favored Pre-proline 0 C--N 1.367 1.328 0 C-N-CA 128.55 2.74 . . . . 0.0 114.642 -175.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.65 73.74 5.87 Favored 'Trans proline' 0 CA--C 1.552 1.386 0 C-N-CA 124.776 3.651 . . . . 0.0 113.557 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -157.64 -173.65 4.49 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.426 1.49 . . . . 0.0 107.027 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -136.91 -172.7 3.25 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.581 1.953 . . . . 0.0 107.569 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.98 170.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -155.87 -151.13 0.32 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -87.5 -29.67 21.19 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.816 2.446 . . . . 0.0 111.925 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.85 -142.38 11.83 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 104.469 -3.452 . . . . 0.0 104.469 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.27 141.82 48.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.183 2.593 . . . . 0.0 104.368 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.57 174.53 5.84 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.763 -1.211 . . . . 0.0 113.14 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -149.9 82.68 1.39 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.137 1.775 . . . . 0.0 106.995 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -130.45 71.77 1.47 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -95.43 57.81 1.99 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.697 1.999 . . . . 0.0 115.027 -171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -142.42 129.03 20.3 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -83.99 52.28 2.26 Favored 'General case' 0 C--N 1.364 1.207 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -136.17 -79.45 0.41 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 127.366 2.267 . . . . 0.0 106.763 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 51.0 tp -95.54 128.1 42.12 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.98 1.712 . . . . 0.0 111.288 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.5 168.95 18.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.76 -1.213 . . . . 0.0 108.81 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 75.52 72.45 0.21 Allowed Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 129.412 3.085 . . . . 0.0 115.118 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -76.16 56.97 5.11 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 125.073 3.849 . . . . 0.0 111.105 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -146.66 -49.97 0.2 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 129.664 3.186 . . . . 0.0 103.454 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -101.68 -40.51 6.95 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 124.902 1.281 . . . . 0.0 112.544 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.369 1.437 0 C-N-CA 127.861 2.464 . . . . 0.0 115.366 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -173.38 154.91 2.62 Favored Pre-proline 0 C--N 1.35 0.594 0 C-N-CA 126.686 1.995 . . . . 0.0 106.095 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -81.23 -175.95 2.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 124.737 3.625 . . . . 0.0 114.657 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -155.37 160.02 40.37 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 124.553 1.141 . . . . 0.0 108.129 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.69 50.35 1.27 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 176.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -76.66 -28.39 55.97 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.249 2.22 . . . . 0.0 114.448 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.81 175.49 5.53 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.932 2.093 . . . . 0.0 110.226 173.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -98.89 -13.71 19.9 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 119.622 -1.923 . . . . 0.0 113.112 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.414 77.8 mttt -54.94 -27.38 43.08 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 119.326 3.084 . . . . 0.0 119.326 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -57.91 -14.75 6.77 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.136 1.775 . . . . 0.0 115.69 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -69.8 -28.15 65.48 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.496 3.118 . . . . 0.0 112.301 166.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.6 -38.85 86.02 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-N 120.877 1.671 . . . . 0.0 113.874 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -57.25 -37.9 73.01 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.865 2.866 . . . . 0.0 116.253 168.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HB ' ' HE2' ' A' ' 17' ' ' MET . 21.3 p -78.83 -45.52 20.66 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 129.538 3.135 . . . . 0.0 113.158 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.288 3.1 mmp_? 75.78 1.55 3.56 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.373 2.269 . . . . 0.0 113.612 -171.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.307 5.9 tt0 89.24 90.98 0.02 OUTLIER 'General case' 0 C--N 1.361 1.092 0 C-N-CA 130.252 3.421 . . . . 0.0 114.833 174.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' HG22 ' A' ' 21' ' ' VAL . 11.4 ptp -71.71 -49.13 42.27 Favored 'General case' 0 C--N 1.357 0.899 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -52.94 -18.27 1.87 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 131.41 3.884 . . . . 0.0 120.243 -167.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -85.9 -91.37 0.1 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.12 1.368 . . . . 0.0 112.127 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.469 0.0 OUTLIER -76.84 -25.39 53.14 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 -178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 17' ' ' MET 0.382 1.7 m -71.94 -32.61 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.752 0 O-C-N 117.247 -3.408 . . . . 0.0 116.429 -177.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.13 -40.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -23.56 58.73 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.388 -2.07 . . . . 0.0 116.093 173.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.633 HG21 ' CH2' ' A' ' 67' ' ' TRP 0.379 0.9 OUTLIER -76.71 -35.54 25.22 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.726 0 N-CA-C 117.522 2.416 . . . . 0.0 117.522 -177.279 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.375 0.7 OUTLIER -55.13 -28.75 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 128.209 2.604 . . . . 0.0 112.749 176.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.26 -17.9 32.59 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 127.083 2.153 . . . . 0.0 115.802 162.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 HD13 ' A' ' 28' ' ' LEU . 31.1 m -69.28 -54.5 19.55 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 CA-C-N 122.374 2.352 . . . . 0.0 109.129 169.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.63 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -71.05 -53.68 13.84 Favored 'General case' 0 C--N 1.371 1.524 0 O-C-N 118.842 -2.411 . . . . 0.0 116.412 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -51.86 -27.21 11.95 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 131.014 3.726 . . . . 0.0 116.508 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.8 m -76.5 -51.53 11.55 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.547 2.739 . . . . 0.0 112.739 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -64.43 -32.3 73.86 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 128.945 2.898 . . . . 0.0 111.839 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.5 -31.25 55.67 Favored 'General case' 0 N--CA 1.446 -0.675 1 C-N-CA 132.808 4.443 . . . . 0.0 117.348 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -72.55 -41.93 65.25 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.68 -1.887 . . . . 0.0 114.216 170.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.267 . . -73.34 -25.19 60.51 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.066 2.946 . . . . 0.0 113.436 172.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.26 1.3 p -59.42 -38.35 80.42 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.678 -2.513 . . . . 0.0 114.747 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.259 2.6 pp0? -68.0 -10.62 55.05 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.179 2.192 . . . . 0.0 114.39 176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -48.39 3.11 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 128.252 2.621 . . . . 0.0 110.576 -171.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -127.62 110.51 12.76 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 100.816 -3.772 . . . . 0.0 100.816 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.16 -53.96 0.61 Allowed 'General case' 0 C--N 1.356 0.856 1 C-N-CA 134.275 5.03 . . . . 0.0 115.389 -174.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.62 84.41 1.74 Allowed 'General case' 0 N--CA 1.414 -2.247 0 N-CA-C 102.819 -3.03 . . . . 0.0 102.819 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.8 pt? -65.89 -20.87 66.38 Favored 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 124.049 1.88 . . . . 0.0 115.236 164.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' HG3' ' A' ' 45' ' ' MET . 4.8 tt0 -98.8 37.09 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.404 1 C-N-CA 140.177 7.391 . . . . 0.0 108.753 174.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -55.42 -33.69 86.63 Favored 'Trans proline' 0 C--N 1.41 3.809 1 C-N-CA 127.4 5.4 . . . . 0.0 111.858 -164.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -159.79 138.8 10.89 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 130.317 3.447 . . . . 0.0 106.893 170.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.608 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 1.7 mtm -144.06 140.52 17.11 Favored Pre-proline 0 CA--C 1.561 1.383 0 C-N-CA 127.823 2.449 . . . . 0.0 109.183 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.76 167.92 18.16 Favored 'Trans proline' 0 CA--C 1.56 1.794 0 CA-C-N 127.509 3.718 . . . . 0.0 116.235 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.351 57.5 mt -62.78 -47.09 88.13 Favored Pre-proline 0 N--CA 1.501 2.124 0 O-C-N 118.41 -2.682 . . . . 0.0 111.81 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 51' ' ' ARG 0.679 1.8 Cg_endo -50.04 -14.31 0.86 Allowed 'Trans proline' 0 CA--C 1.569 2.265 1 C-N-CA 126.553 4.835 . . . . 0.0 119.311 151.192 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.787 ' CE1' HG12 ' A' ' 50' ' ' VAL . 5.1 p80 -53.66 -41.41 66.81 Favored 'General case' 0 N--CA 1.509 2.475 1 CA-C-N 127.091 4.496 . . . . 0.0 114.823 -178.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.787 HG12 ' CE1' ' A' ' 49' ' ' HIS 0.466 0.9 OUTLIER -68.66 -31.47 51.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 C-N-CA 128.125 2.57 . . . . 0.0 111.719 171.93 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.706 ' HA ' HD22 ' A' ' 54' ' ' LEU 0.34 0.0 OUTLIER -55.31 -21.57 15.37 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 127.842 2.457 . . . . 0.0 115.544 165.18 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.49 -26.45 68.44 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 119.122 -2.236 . . . . 0.0 114.196 162.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -93.88 -24.11 17.85 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 128.097 2.559 . . . . 0.0 117.546 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD22 ' HA ' ' A' ' 51' ' ' ARG 0.354 0.1 OUTLIER -68.18 -25.46 65.26 Favored 'General case' 0 C--N 1.395 2.584 0 CA-C-N 121.909 2.14 . . . . 0.0 110.653 -162.796 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.8 mp -155.99 152.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 2 N-CA-C 97.374 -5.047 . . . . 0.0 97.374 160.218 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -90.55 -40.64 0.4 Allowed Pre-proline 0 CA--C 1.552 1.042 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -95.34 -125.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 124.481 3.454 . . . . 0.0 112.998 -165.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 4.9 t-80 -70.71 -27.06 63.7 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 129.885 3.274 . . . . 0.0 114.049 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -88.7 6.05 40.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.566 2.746 . . . . 0.0 111.765 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.635 ' O ' HD21 ' A' ' 54' ' ' LEU 0.279 0.0 OUTLIER -46.77 -49.57 19.56 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 129.034 2.934 . . . . 0.0 115.195 174.941 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.826 3.5 tmtm? -69.69 -24.44 63.59 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 118.17 -2.831 . . . . 0.0 116.83 172.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -53.78 -20.67 5.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 119.369 3.1 . . . . 0.0 119.369 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.481 65.1 mtm -114.92 5.29 15.04 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 119.874 -1.766 . . . . 0.0 110.552 167.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 30.8 tttt -70.71 -30.23 66.73 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 121.03 1.741 . . . . 0.0 110.633 172.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -43.12 76.96 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.429 7.9 p -75.83 -30.53 21.31 Favored 'Isoleucine or valine' 0 C--N 1.382 2.014 0 C-N-CA 127.12 2.168 . . . . 0.0 111.661 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.633 ' CH2' HG21 ' A' ' 24' ' ' ILE . 64.8 t-105 -51.15 -41.19 59.96 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 128.668 2.787 . . . . 0.0 113.393 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -54.94 -37.48 66.48 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 128.503 2.721 . . . . 0.0 114.239 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.78 -54.03 6.81 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.616 1.966 . . . . 0.0 114.216 163.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.16 72.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 127.325 2.25 . . . . 0.0 115.753 -176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.272 1.2 p -56.81 -29.75 31.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 131.297 3.839 . . . . 0.0 114.152 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.256 2.3 t70 -59.67 -30.81 69.01 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.607 2.363 . . . . 0.0 113.887 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 17' ' ' MET . 52.3 t80 -65.06 -58.28 6.47 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.121 -1.612 . . . . 0.0 113.009 159.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.8 tp -57.34 -51.56 68.9 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 127.078 2.151 . . . . 0.0 115.368 -175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.68 -13.63 62.4 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.06 -31.17 13.16 Favored 'General case' 0 C--N 1.374 1.645 0 O-C-N 120.133 -1.604 . . . . 0.0 110.662 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -90.5 -46.08 8.55 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 126.779 2.032 . . . . 0.0 115.849 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -93.74 142.74 27.01 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -170.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -136.1 57.48 1.78 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.867 1.667 . . . . 0.0 112.918 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -114.24 -86.82 0.58 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.411 1.484 . . . . 0.0 108.302 177.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG12 ' CB ' ' A' ' 98' ' ' TRP . 14.3 m -69.34 141.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 119.146 -2.221 . . . . 0.0 110.652 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.83 155.8 20.38 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.705 -1.247 . . . . 0.0 111.254 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -97.77 109.93 22.59 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.328 1.451 . . . . 0.0 108.617 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -129.25 150.32 50.68 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.478 -1.389 . . . . 0.0 110.269 -174.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.08 111.52 21.65 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 126.185 1.794 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 139.18 52.89 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 120.261 -1.524 . . . . 0.0 110.04 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -85.42 115.22 23.03 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 124.882 1.273 . . . . 0.0 113.352 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.67 122.14 42.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 120.593 -1.317 . . . . 0.0 107.888 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 20.65 76.42 Favored Glycine 0 N--CA 1.5 2.942 0 C-N-CA 125.18 1.371 . . . . 0.0 113.568 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.1 13.91 70.46 Favored Glycine 0 C--N 1.356 1.664 0 C-N-CA 125.608 1.575 . . . . 0.0 115.048 -172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.35 134.99 44.48 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 120.563 2.182 . . . . 0.0 109.029 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -93.12 112.91 25.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.779 2.432 . . . . 0.0 112.838 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -124.46 168.65 12.77 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.761 1.224 . . . . 0.0 109.31 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.67 118.6 29.41 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.856 1.662 . . . . 0.0 108.265 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.41 156.1 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 125.859 1.664 . . . . 0.0 107.102 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -100.72 129.04 46.57 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 101.393 -3.558 . . . . 0.0 101.393 163.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -134.37 151.64 51.33 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.523 ' CB ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.94 143.18 43.36 Favored 'General case' 0 CA--C 1.475 -1.912 0 O-C-N 120.894 -1.129 . . . . 0.0 110.489 176.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.34 105.25 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 124.571 1.148 . . . . 0.0 108.623 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -113.15 104.64 55.76 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 119.933 -1.729 . . . . 0.0 107.357 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -64.69 147.94 90.07 Favored 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 125.074 3.85 . . . . 0.0 115.895 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.347 53.1 p 88.78 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 126.964 2.105 . . . . 0.0 112.399 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 120.09 134.79 0.0 OUTLIER 'General case' 0 C--N 1.362 1.115 0 C-N-CA 131.073 3.749 . . . . 0.0 111.39 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.7 m -111.69 7.54 20.41 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 124.29 1.036 . . . . 0.0 112.609 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.262 4.9 t 71.1 -53.53 0.68 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 128.864 2.866 . . . . 0.0 116.039 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -116.33 -168.69 1.48 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.377 1.471 . . . . 0.0 109.304 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -120.96 127.39 51.77 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.233 -2.167 . . . . 0.0 105.186 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.7 tp -79.42 -41.09 22.22 Favored 'Isoleucine or valine' 0 C--N 1.366 1.292 0 C-N-CA 125.131 1.372 . . . . 0.0 112.87 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.8 mt 75.03 145.3 0.08 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 128.654 2.782 . . . . 0.0 116.802 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.1 p -112.95 4.49 8.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 123.645 1.688 . . . . 0.0 109.065 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.9 mt -131.66 135.78 27.41 Favored Pre-proline 0 C--N 1.36 1.022 0 C-N-CA 128.802 2.841 . . . . 0.0 105.981 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 52.8 3.7 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 124.813 3.675 . . . . 0.0 113.901 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 56.1 p -104.49 68.75 0.88 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 126.984 2.114 . . . . 0.0 113.968 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -112.21 112.29 23.79 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 115' ' ' VAL . 15.1 t -45.82 -33.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 131.385 3.874 . . . . 0.0 117.684 -173.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -116.07 26.9 9.61 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.163 2.185 . . . . 0.0 111.715 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.335 64.1 mt-30 80.52 -47.43 0.29 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.127 2.571 . . . . 0.0 115.768 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -139.09 169.12 24.59 Favored Glycine 0 C--N 1.355 1.633 0 O-C-N 120.514 -1.366 . . . . 0.0 111.469 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.14 162.18 39.38 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.4 -178.69 5.4 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 126.277 1.831 . . . . 0.0 107.736 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -77.27 62.28 2.29 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 115.761 -175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 124' ' ' ASP . 16.2 t-80 -163.54 130.63 3.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 126.386 1.875 . . . . 0.0 108.311 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.54 18.83 18.07 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.977 1.311 . . . . 0.0 111.664 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.47 ' HA ' ' CE1' ' A' ' 122' ' ' HIS 0.253 42.3 m-20 74.69 57.7 0.07 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.74 2.016 . . . . 0.0 111.987 -177.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 92.2 mtm180 -90.67 64.76 5.76 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.835 1.654 . . . . 0.0 113.371 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -148.6 127.91 12.99 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.442 1.097 . . . . 0.0 108.055 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.72 -60.97 0.5 Allowed 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.744 2.418 . . . . 0.0 117.407 176.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.35 87.85 0.63 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -109.48 95.95 21.04 Favored Pre-proline 0 C--N 1.356 0.885 0 C-N-CA 125.94 1.696 . . . . 0.0 109.857 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.97 70.48 7.03 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.464 3.443 . . . . 0.0 110.582 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -72.18 55.79 0.32 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 129.463 3.105 . . . . 0.0 116.865 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.52 88.34 3.83 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 126.641 1.976 . . . . 0.0 108.506 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 C--N 1.362 1.147 0 C-N-CA 127.536 2.334 . . . . 0.0 113.522 -178.243 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -173.38 154.7 2.58 Favored Pre-proline 0 C--N 1.349 0.562 0 C-N-CA 126.832 2.053 . . . . 0.0 105.812 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -80.41 -178.69 4.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 124.318 3.345 . . . . 0.0 114.783 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.89 -49.64 3.18 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.037 1.335 . . . . 0.0 110.369 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.2 t80 78.87 11.74 1.49 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 129.244 3.018 . . . . 0.0 114.974 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -80.89 26.85 0.4 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 127.391 2.276 . . . . 0.0 114.184 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.19 -158.97 0.68 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 131.419 3.888 . . . . 0.0 116.116 -172.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -55.47 -35.2 65.26 Favored 'General case' 0 C--N 1.362 1.13 1 C-N-CA 133.076 4.55 . . . . 0.0 119.716 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.384 30.1 mmtp -70.15 -26.91 64.15 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 119.987 -1.696 . . . . 0.0 114.574 -177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.7 -14.64 2.35 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 128.45 2.7 . . . . 0.0 115.924 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -67.35 -29.49 69.05 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 130.387 3.475 . . . . 0.0 113.092 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.36 -38.9 68.42 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 126.187 1.795 . . . . 0.0 111.589 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.19 -43.44 78.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 128.69 2.796 . . . . 0.0 114.776 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.359 22.2 p -77.78 -28.81 50.61 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.164 2.986 . . . . 0.0 115.034 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.269 17.5 ttm180 70.96 -116.08 0.09 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 121.386 3.847 . . . . 0.0 121.386 165.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -127.87 15.12 6.91 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.335 1.854 . . . . 0.0 108.928 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtt -66.03 -43.45 87.52 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 129.977 3.311 . . . . 0.0 113.56 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.381 1.0 OUTLIER -54.7 -16.15 2.32 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 129.071 2.948 . . . . 0.0 116.817 170.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.24 -54.61 5.8 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 124.967 1.307 . . . . 0.0 112.567 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -26.52 52.43 Favored 'General case' 0 C--N 1.371 1.526 0 C-N-CA 127.481 2.313 . . . . 0.0 116.206 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -66.58 -31.12 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 117.391 2.367 . . . . 0.0 117.391 -177.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 22' ' ' VAL . 3.9 m -52.01 -33.99 16.87 Favored 'Isoleucine or valine' 0 C--N 1.368 1.379 0 C-N-CA 128.076 2.55 . . . . 0.0 115.362 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -73.89 -34.07 64.26 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 27' ' ' VAL 0.368 1.3 mt -76.2 -36.32 30.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 O-C-N 120.152 -1.593 . . . . 0.0 113.171 177.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.356 1.3 pt -53.16 -28.7 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 118.628 -2.545 . . . . 0.0 115.377 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.17 -17.6 62.57 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 127.15 2.18 . . . . 0.0 116.038 165.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.751 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.313 0.0 OUTLIER -66.1 -56.05 16.39 Favored 'Isoleucine or valine' 0 C--N 1.4 2.797 0 CA-C-N 122.272 2.305 . . . . 0.0 111.888 177.611 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.2 -48.73 49.77 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.508 2.04 . . . . 0.0 116.508 -173.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -51.15 -27.63 9.08 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 128.398 2.679 . . . . 0.0 117.857 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -76.16 -52.02 10.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.818 2.447 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -70.04 -31.06 68.51 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 124.488 1.115 . . . . 0.0 112.319 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.45 -33.24 66.91 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.506 1.922 . . . . 0.0 113.87 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.26 -34.71 68.44 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 119.569 -1.957 . . . . 0.0 113.237 169.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.07 61.38 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 129.604 3.162 . . . . 0.0 115.813 172.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HA ' HD22 ' A' ' 41' ' ' LEU 0.334 1.7 p -57.12 -32.45 66.35 Favored 'General case' 0 CA--C 1.488 -1.439 0 C-N-CA 127.056 2.142 . . . . 0.0 114.927 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.05 -12.14 0.21 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.793 3.237 . . . . 0.0 117.376 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.57 -41.09 7.91 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 129.196 2.998 . . . . 0.0 113.393 -175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -119.82 148.64 43.2 Favored 'General case' 0 CA--C 1.488 -1.414 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 -165.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -52.14 64.9 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 123.537 1.637 . . . . 0.0 115.229 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.306 1.2 p30 -152.4 87.39 1.31 Allowed 'General case' 0 N--CA 1.444 -0.763 1 C-N-CA 133.067 4.547 . . . . 0.0 109.798 166.19 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 35' ' ' CYS . 1.5 pt? -59.01 -22.04 60.02 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 172.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -100.04 37.14 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.058 1 C-N-CA 140.27 7.428 . . . . 0.0 110.377 175.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -50.59 -25.16 14.04 Favored 'Trans proline' 0 C--N 1.391 2.789 2 C-N-CA 126.972 5.115 . . . . 0.0 114.238 -166.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -162.64 153.83 17.58 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.015 2.926 . . . . 0.0 107.206 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.64 ' HB3' ' CG ' ' A' ' 49' ' ' HIS . 27.6 mtp -155.89 134.73 7.58 Favored Pre-proline 0 CA--C 1.591 2.522 0 C-N-CA 129.535 3.134 . . . . 0.0 107.705 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -71.91 174.62 10.93 Favored 'Trans proline' 0 CA--C 1.57 2.325 2 CA-C-N 130.718 4.864 . . . . 0.0 116.085 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 1.3 mt -59.47 -50.54 86.68 Favored Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 117.7 -3.125 . . . . 0.0 112.703 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.783 3.7 Cg_exo -50.13 -13.76 0.74 Allowed 'Trans proline' 0 CA--C 1.546 1.121 1 C-N-CA 126.806 5.004 . . . . 0.0 119.322 155.948 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.642 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 p80 -53.71 -46.3 70.73 Favored 'General case' 0 C--N 1.388 2.25 1 CA-C-N 126.656 4.298 . . . . 0.0 114.137 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.751 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.315 1.4 m -69.54 -33.3 56.37 Favored 'Isoleucine or valine' 0 C--N 1.361 1.109 0 C-N-CA 126.824 2.05 . . . . 0.0 111.786 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB3' ' HB2' ' A' ' 64' ' ' LYS 0.314 10.9 mtt180 -66.89 -14.33 62.64 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 128.229 2.611 . . . . 0.0 117.319 166.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.51 -14.89 61.3 Favored 'General case' 0 CA--C 1.571 1.753 0 O-C-N 116.938 -3.601 . . . . 0.0 112.715 166.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 t -92.39 -32.18 15.04 Favored 'General case' 0 C--N 1.367 1.354 1 N-CA-C 122.252 4.167 . . . . 0.0 122.252 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -66.88 -18.61 65.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 130.785 3.634 . . . . 0.0 115.32 -161.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.71 156.02 5.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 101.501 -3.518 . . . . 0.0 101.501 167.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -91.48 -43.57 0.38 Allowed Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 120.203 3.409 . . . . 0.0 120.203 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 11.0 Cg_endo -86.8 -141.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.237 3.291 . . . . 0.0 112.675 -169.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.418 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 29.6 m170 -62.49 -26.64 68.64 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.711 3.204 . . . . 0.0 115.045 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -84.48 1.2 46.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.952 2.501 . . . . 0.0 112.795 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.265 0.0 OUTLIER -45.94 -44.81 15.1 Favored 'General case' 0 C--N 1.374 1.63 0 C-N-CA 128.442 2.697 . . . . 0.0 116.218 178.281 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.807 0.5 OUTLIER -70.2 -24.7 63.16 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 169.032 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -55.24 -20.28 10.5 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 117.975 -2.953 . . . . 0.0 118.772 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.357 63.3 mtm -114.37 6.2 15.96 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.995 -1.691 . . . . 0.0 111.706 168.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 7.6 tttp -71.87 -38.13 70.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.442 171.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -64.07 -42.73 96.87 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.432 2.9 p -73.8 -30.83 29.54 Favored 'Isoleucine or valine' 0 C--N 1.376 1.755 0 C-N-CA 127.261 2.224 . . . . 0.0 111.917 172.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' O ' HG23 ' A' ' 71' ' ' VAL . 62.7 t-105 -51.65 -36.79 47.64 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 125.794 1.638 . . . . 0.0 114.9 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.64 -38.04 66.4 Favored 'General case' 0 C--N 1.369 1.422 0 C-N-CA 128.119 2.568 . . . . 0.0 113.865 172.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -77.36 -53.67 7.39 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.393 2.277 . . . . 0.0 111.93 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -52.72 -31.89 40.07 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 67' ' ' TRP . 25.5 t -54.54 -32.56 25.12 Favored 'Isoleucine or valine' 0 C--N 1.37 1.479 1 C-N-CA 132.204 4.202 . . . . 0.0 114.073 167.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.4 -49.05 77.04 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.536 1.935 . . . . 0.0 112.487 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.19 -53.64 52.36 Favored 'General case' 0 C--N 1.37 1.494 0 C-N-CA 126.238 1.815 . . . . 0.0 113.615 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.01 -47.07 75.69 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.78 -18.72 64.37 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.41 7.08 40.5 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.865 1.666 . . . . 0.0 112.383 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -134.68 -45.65 0.74 Allowed 'General case' 0 C--N 1.359 1.02 0 C-N-CA 126.371 1.869 . . . . 0.0 111.969 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -133.4 85.99 2.26 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.015 -1.053 . . . . 0.0 111.282 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -120.66 65.84 0.85 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.837 1.255 . . . . 0.0 109.343 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -87.36 -50.69 6.4 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.69 2.396 . . . . 0.0 110.402 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.263 0.9 OUTLIER -68.03 118.64 12.29 Favored 'Isoleucine or valine' 0 C--N 1.371 1.531 0 C-N-CA 130.003 3.321 . . . . 0.0 106.202 171.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -111.59 143.32 42.65 Favored 'General case' 0 C--N 1.366 1.319 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 -160.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -85.69 119.55 26.14 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 128.343 2.657 . . . . 0.0 113.425 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.61 150.7 40.49 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -92.87 110.35 21.8 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.61 144.2 41.83 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.765 -1.209 . . . . 0.0 110.359 -171.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -83.11 113.48 20.65 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.13 1.372 . . . . 0.0 113.72 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.06 126.69 31.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 120.782 -1.199 . . . . 0.0 108.728 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.66 78.53 Favored Glycine 0 N--CA 1.497 2.727 0 C-N-CA 125.24 1.4 . . . . 0.0 112.671 -174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.69 12.58 74.65 Favored Glycine 0 C--N 1.358 1.784 0 C-N-CA 125.496 1.522 . . . . 0.0 114.819 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.01 136.81 46.23 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-N 120.52 2.16 . . . . 0.0 110.237 -175.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -83.76 108.26 16.69 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 128.949 2.899 . . . . 0.0 110.305 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.26 161.81 25.02 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.307 1.443 . . . . 0.0 110.591 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.28 109.99 21.07 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -121.96 145.94 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 105.159 -2.164 . . . . 0.0 105.159 -168.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.49 ' HE3' ' CD2' ' A' ' 49' ' ' HIS . 12.6 m0 -102.12 132.55 47.95 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -133.29 151.68 51.9 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 118.968 -2.333 . . . . 0.0 106.979 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -107.71 144.57 34.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 122.216 1.008 . . . . 0.0 111.744 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 pt -121.01 124.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.532 0 C-N-CA 126.936 2.094 . . . . 0.0 106.906 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 35' ' ' CYS . 18.6 tm0? -75.28 142.61 75.4 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-O 116.546 -1.692 . . . . 0.0 106.664 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -63.45 129.08 24.15 Favored 'Trans proline' 0 C--N 1.371 1.747 0 CA-C-N 125.643 3.051 . . . . 0.0 116.173 -167.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t 80.98 2.21 1.68 Allowed 'General case' 0 C--N 1.36 1.027 0 C-N-CA 126.737 2.015 . . . . 0.0 112.85 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 60.61 57.33 2.77 Favored 'General case' 0 C--N 1.374 1.639 0 C-N-CA 127.43 2.292 . . . . 0.0 114.454 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.264 95.5 p 89.93 -19.92 0.16 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.06 3.344 . . . . 0.0 114.04 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.273 7.8 t 98.84 4.4 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 129.42 3.088 . . . . 0.0 111.368 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t70 70.23 -50.28 0.65 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.132 2.973 . . . . 0.0 116.849 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -80.82 -0.62 39.59 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 129.24 3.016 . . . . 0.0 114.66 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.9 mm -116.18 36.22 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -75.08 46.13 0.3 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.421 2.688 . . . . 0.0 115.243 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.318 6.6 t 76.78 42.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.24 0 C-N-CA 128.929 2.892 . . . . 0.0 110.407 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.22 133.32 24.83 Favored Pre-proline 0 C--N 1.355 0.808 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 67.98 6.42 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 124.156 3.237 . . . . 0.0 114.432 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t 33.89 83.06 0.02 OUTLIER 'General case' 0 C--N 1.36 1.031 1 C-N-CA 131.886 4.074 . . . . 0.0 120.641 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -89.69 30.19 1.07 Allowed 'General case' 0 C--N 1.367 1.329 0 CA-C-O 123.873 1.797 . . . . 0.0 112.219 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.91 117.31 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 131.583 3.953 . . . . 0.0 100.559 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -143.85 142.22 30.72 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.112 -0.993 . . . . 0.0 109.114 -173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -87.85 -21.47 25.0 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 129.665 3.186 . . . . 0.0 115.961 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 113.82 -54.36 0.56 Allowed Glycine 0 C--N 1.362 2.0 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . 0.304 5.7 tp60 72.97 74.47 0.14 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 130.211 3.404 . . . . 0.0 117.451 173.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.44 -150.86 0.45 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.586 1.954 . . . . 0.0 107.962 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -83.99 69.07 10.25 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 119.969 -1.707 . . . . 0.0 112.592 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -144.93 147.03 32.26 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.352 2.261 . . . . 0.0 105.135 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.9 tp -123.46 40.68 3.66 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 122.979 1.371 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.255 13.1 t70 66.38 -57.41 0.37 Allowed 'General case' 0 C--N 1.363 1.17 0 C-N-CA 129.367 3.067 . . . . 0.0 118.397 176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.72 147.09 23.48 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.676 1.99 . . . . 0.0 112.806 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.76 -174.21 2.37 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.7 mt 80.79 96.35 0.05 Allowed 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.533 2.333 . . . . 0.0 113.738 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.52 38.1 2.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.819 0.847 . . . . 0.0 109.519 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -165.36 -53.5 0.01 OUTLIER Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 116.579 -1.677 . . . . 0.0 113.145 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -94.62 -95.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 CA-C-N 125.549 3.018 . . . . 0.0 110.405 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -85.0 86.35 7.4 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 126.401 1.88 . . . . 0.0 110.166 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 103.42 136.67 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 131.003 3.721 . . . . 0.0 108.353 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 C--N 1.359 1.006 0 O-C-N 120.991 -1.068 . . . . 0.0 109.326 176.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.128 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -174.1 161.57 2.94 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -78.35 -171.89 1.35 Allowed 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 125.055 3.837 . . . . 0.0 116.124 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 92.8 167.35 0.03 OUTLIER 'General case' 0 C--N 1.37 1.461 0 C-N-CA 129.015 2.926 . . . . 0.0 113.418 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -85.54 57.52 4.51 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.022 2.129 . . . . 0.0 110.41 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -89.49 -20.57 23.68 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.068 2.547 . . . . 0.0 112.811 -177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.54 176.1 5.26 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.141 2.176 . . . . 0.0 112.038 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -99.31 -13.57 19.59 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.482 1.913 . . . . 0.0 114.104 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.38 22.0 mmmt -56.48 -28.19 59.08 Favored 'General case' 0 C--N 1.367 1.365 0 N-CA-C 117.7 2.482 . . . . 0.0 117.7 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -55.96 -14.75 2.72 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.789 2.435 . . . . 0.0 115.195 171.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 128.951 2.9 . . . . 0.0 113.815 166.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.09 -38.47 78.98 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 119.961 1.255 . . . . 0.0 113.46 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -59.56 -40.09 86.15 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 128.467 2.707 . . . . 0.0 115.808 173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.355 25.3 p -76.69 -25.81 54.06 Favored 'General case' 0 CA--C 1.49 -1.353 1 C-N-CA 137.603 6.361 . . . . 0.0 114.887 177.682 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -67.36 -16.05 64.03 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.106 -0.996 . . . . 0.0 112.542 165.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.06 131.72 53.0 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.905 2.082 . . . . 0.0 111.714 172.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.488 35.4 mmt -70.35 -31.22 68.4 Favored 'General case' 0 C--O 1.216 -0.679 2 C-N-CA 136.148 5.779 . . . . 0.0 123.322 -172.607 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -48.77 -16.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.945 1 N-CA-C 128.655 6.539 . . . . 0.0 128.655 -165.214 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.34 -141.01 0.07 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 123.321 2.782 . . . . 0.0 115.7 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -24.79 25.21 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 131.366 3.866 . . . . 0.0 115.194 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG12 ' HB1' ' A' ' 70' ' ' ALA . 5.7 m -66.56 -33.22 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.781 2.832 . . . . 0.0 115.184 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.415 1.1 p -55.16 -32.4 27.88 Favored 'Isoleucine or valine' 0 C--N 1.372 1.556 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 1.5 mppt? -74.23 -28.16 61.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.623 1.969 . . . . 0.0 115.645 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.848 HD11 ' HA ' ' A' ' 54' ' ' LEU 0.54 1.8 mp -76.5 -34.65 24.82 Favored 'Isoleucine or valine' 0 C--N 1.365 1.243 0 C-N-CA 126.427 1.891 . . . . 0.0 112.902 -176.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.257 2.0 pt -52.9 -29.91 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 119.271 -2.143 . . . . 0.0 115.08 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.25 -25.36 65.15 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 126.601 1.96 . . . . 0.0 115.036 168.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG13 HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.88 -47.79 84.27 Favored 'Isoleucine or valine' 0 C--N 1.383 2.033 0 C-N-CA 128.91 2.884 . . . . 0.0 111.859 175.2 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.44 -54.45 9.31 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 118.888 2.922 . . . . 0.0 118.888 178.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -53.82 -25.92 21.77 Favored 'General case' 0 C--N 1.376 1.757 1 C-N-CA 133.383 4.673 . . . . 0.0 116.075 174.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 m -76.19 -51.42 12.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.33 2.652 . . . . 0.0 113.512 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CE1' ' HB2' ' A' ' 42' ' ' GLN . 21.0 t60 -60.22 -38.75 84.31 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.313 2.645 . . . . 0.0 112.601 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' CZ2' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -54.71 -31.04 57.56 Favored 'General case' 0 N--CA 1.444 -0.765 1 C-N-CA 135.78 5.632 . . . . 0.0 119.223 -178.54 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.33 -46.53 60.38 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.328 1.851 . . . . 0.0 111.005 175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.11 67.68 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 128.2 2.6 . . . . 0.0 113.486 171.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' HA ' HD23 ' A' ' 41' ' ' LEU . 5.5 t -72.36 -31.36 65.53 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 116.863 2.172 . . . . 0.0 116.863 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.29 1.1 pp0? -67.22 -12.82 61.08 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.716 1.606 . . . . 0.0 112.985 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.28 44.72 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 125.969 1.708 . . . . 0.0 110.455 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -109.77 -177.36 3.25 Favored 'General case' 0 N--CA 1.435 -1.204 1 C-N-CA 132.051 4.14 . . . . 0.0 104.516 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.19 14.97 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 119.748 -1.845 . . . . 0.0 111.386 163.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.281 55.3 p30 -154.33 99.79 2.24 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 127.777 2.431 . . . . 0.0 113.312 -173.455 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.384 1.9 pp -73.3 -16.03 61.39 Favored 'General case' 0 CA--C 1.589 2.45 0 O-C-N 116.8 -3.687 . . . . 0.0 115.83 162.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.696 ' HB2' ' CE1' ' A' ' 31' ' ' HIS 0.631 2.2 mp0 -100.16 37.79 0.04 OUTLIER Pre-proline 0 C--N 1.365 1.25 1 C-N-CA 136.532 5.933 . . . . 0.0 119.703 170.987 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -41.55 -24.03 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.285 2 C-N-CA 127.943 5.762 . . . . 0.0 117.327 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -154.27 150.84 28.45 Favored 'General case' 0 C--N 1.368 1.4 0 C-N-CA 128.397 2.679 . . . . 0.0 107.9 168.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.28 149.45 24.65 Favored Pre-proline 0 C--N 1.366 1.295 0 C-N-CA 129.627 3.171 . . . . 0.0 109.061 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -78.22 178.87 7.07 Favored 'Trans proline' 0 CA--C 1.557 1.628 0 CA-C-N 128.17 3.954 . . . . 0.0 112.013 169.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.265 43.8 mm -63.97 -51.8 61.05 Favored Pre-proline 0 C--N 1.375 1.7 0 C-N-CA 127.705 2.402 . . . . 0.0 109.144 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.002 23.5 Cg_endo -49.25 -14.57 0.55 Allowed 'Trans proline' 0 C--N 1.375 1.934 1 C-N-CA 127.686 5.591 . . . . 0.0 119.585 161.64 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.12 -51.67 68.75 Favored 'General case' 0 N--CA 1.502 2.139 1 CA-C-N 127.046 4.476 . . . . 0.0 112.188 168.77 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.38 0.2 OUTLIER -78.58 -42.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 125.042 1.337 . . . . 0.0 110.826 167.907 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.305 54.6 ttp180 -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.377 1.787 0 O-C-N 119.278 -2.139 . . . . 0.0 115.661 176.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.267 70.2 m-20 -79.89 -15.23 57.76 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 117.734 -3.104 . . . . 0.0 116.036 158.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -77.33 -15.63 59.31 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 -171.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.29 -15.74 63.47 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.961 2.904 . . . . 0.0 114.402 -169.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -148.37 166.2 4.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 102.067 -3.309 . . . . 0.0 102.067 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.386 6.3 mm-40 -92.13 -48.97 0.31 Allowed Pre-proline 0 CA--C 1.552 1.023 0 N-CA-C 118.763 2.875 . . . . 0.0 118.763 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 3.9 Cg_endo -92.4 -134.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.659 2.906 . . . . 0.0 113.804 -167.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 8.0 p-80 -70.77 -26.3 63.28 Favored 'General case' 0 C--N 1.367 1.352 1 C-N-CA 131.834 4.054 . . . . 0.0 114.182 177.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -81.18 6.53 13.63 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 129.877 3.271 . . . . 0.0 112.203 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.612 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -52.79 -52.1 58.12 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.722 2.809 . . . . 0.0 115.927 176.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.612 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.914 0.2 OUTLIER -58.99 -24.29 62.62 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 176.166 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.45 -31.67 24.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 173.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.529 55.2 mtm -113.22 7.11 17.73 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.189 0.904 . . . . 0.0 111.44 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 14.9 tttt -72.26 -33.19 67.32 Favored 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.714 1.606 . . . . 0.0 110.396 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -67.79 -38.88 83.94 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.468 2.2 p -76.0 -30.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 C-N-CA 127.855 2.462 . . . . 0.0 110.75 170.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.59 ' CH2' HG21 ' A' ' 24' ' ' ILE . 67.7 t-105 -51.27 -34.86 34.65 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.896 2.478 . . . . 0.0 114.982 175.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -54.58 -43.46 72.13 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 129.563 3.145 . . . . 0.0 112.869 172.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -77.55 -48.0 18.06 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.635 2.774 . . . . 0.0 114.034 166.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.05 -33.88 63.07 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 128.264 2.625 . . . . 0.0 117.698 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.64 -32.9 52.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 130.188 3.395 . . . . 0.0 113.023 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -60.57 -46.42 90.27 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.671 1.988 . . . . 0.0 112.268 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' A' ' 70' ' ' ALA 0.371 32.2 p90 -76.65 -53.97 7.29 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 167.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.89 -44.04 73.77 Favored 'General case' 0 N--CA 1.513 2.698 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.91 -12.25 23.98 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.77 -11.26 57.34 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.31 1.844 . . . . 0.0 114.879 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . 0.28 36.6 p30 -142.3 -65.73 0.4 Allowed 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.036 -1.665 . . . . 0.0 111.577 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.15 85.21 6.91 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 123.058 1.409 . . . . 0.0 114.304 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 m -159.88 128.92 5.1 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.691 1.596 . . . . 0.0 107.839 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -129.55 17.79 5.84 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 125.461 1.504 . . . . 0.0 110.456 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG13 ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -109.21 145.59 15.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 128.55 2.74 . . . . 0.0 105.84 177.087 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -103.82 130.87 51.42 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.518 1.527 . . . . 0.0 107.859 -174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -107.71 116.13 31.38 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-O 122.473 1.13 . . . . 0.0 109.26 -176.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.95 154.03 42.15 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 120.369 -1.457 . . . . 0.0 108.307 -173.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -85.5 110.02 18.9 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.67 1.188 . . . . 0.0 109.112 173.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -138.74 153.5 48.48 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 126.483 1.913 . . . . 0.0 107.346 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -93.86 119.47 32.84 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.916 1.686 . . . . 0.0 112.724 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.43 124.07 44.2 Favored 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 124.765 1.226 . . . . 0.0 108.068 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.27 20.49 76.72 Favored Glycine 0 N--CA 1.501 2.977 0 C-N-CA 124.762 1.172 . . . . 0.0 113.618 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.59 15.06 66.72 Favored Glycine 0 C--N 1.355 1.602 0 C-N-CA 125.608 1.575 . . . . 0.0 115.132 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -139.95 135.86 33.22 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 120.842 2.321 . . . . 0.0 109.209 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.55 123.73 40.31 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.779 2.031 . . . . 0.0 113.621 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' THR . 52.4 m-85 -131.74 171.99 12.82 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.88 110.37 19.37 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.896 -3.002 . . . . 0.0 102.896 167.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.29 143.38 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -170.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.48 130.35 47.72 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -128.91 151.74 49.31 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.591 -1.943 . . . . 0.0 106.561 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CH2' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -85.07 135.49 33.97 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.4 pt -126.46 116.1 44.21 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 C-N-CA 125.606 1.562 . . . . 0.0 107.502 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -127.43 110.51 21.08 Favored Pre-proline 0 C--N 1.359 1.006 0 O-C-N 119.79 -1.819 . . . . 0.0 113.03 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -70.71 164.23 36.22 Favored 'Trans proline' 0 C--N 1.363 1.317 1 C-N-CA 125.823 4.349 . . . . 0.0 117.927 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.5 t -2.99 97.01 0.01 OUTLIER 'General case' 0 C--N 1.364 1.238 2 C-N-CA 133.974 4.909 . . . . 0.0 122.095 173.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.47 93.21 0.01 OUTLIER 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.482 2.713 . . . . 0.0 116.611 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.2 p -163.41 -130.7 0.02 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.541 -169.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 82.1 m -106.05 33.28 3.89 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 126.803 2.041 . . . . 0.0 112.569 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -100.73 11.4 39.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 128.261 2.624 . . . . 0.0 112.152 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -76.99 78.93 3.53 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.951 1.7 . . . . 0.0 114.495 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.301 79.9 mt 115.74 118.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.149 1 C-N-CA 133.676 4.79 . . . . 0.0 107.742 -178.991 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -113.71 79.78 1.29 Allowed 'General case' 0 C--N 1.366 1.306 0 CA-C-O 122.489 1.138 . . . . 0.0 111.831 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.4 t -103.99 116.28 47.47 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 C-N-CA 125.641 1.577 . . . . 0.0 107.405 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.639 ' H ' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER -106.1 147.72 35.33 Favored Pre-proline 0 C--N 1.355 0.839 0 C-N-CA 127.198 2.199 . . . . 0.0 110.736 -177.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -80.88 56.65 6.18 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 124.719 3.613 . . . . 0.0 112.765 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -177.14 -171.47 0.35 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 127.604 2.362 . . . . 0.0 106.174 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 84.49 24.45 0.1 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 130.317 3.447 . . . . 0.0 111.316 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.4 m -82.32 -33.33 11.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 C-N-CA 130.605 3.562 . . . . 0.0 115.882 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 79.23 31.31 0.29 Allowed 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.186 2.194 . . . . 0.0 116.538 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -86.05 63.52 8.07 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 128.106 2.562 . . . . 0.0 111.677 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.52 45.67 0.81 Allowed Glycine 0 C--N 1.354 1.562 0 N-CA-C 105.892 -2.883 . . . . 0.0 105.892 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.0 -49.8 4.01 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 128.491 2.716 . . . . 0.0 112.776 -174.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.9 174.02 10.97 Favored 'General case' 0 C--N 1.361 1.109 0 O-C-N 120.711 -1.243 . . . . 0.0 109.369 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.5 62.73 1.93 Allowed 'General case' 0 C--N 1.357 0.923 0 C-N-CA 128.42 2.688 . . . . 0.0 116.176 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 71.49 -45.4 0.62 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 129.143 2.977 . . . . 0.0 117.619 174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.267 3.8 mm? 82.14 48.34 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.504 3.122 . . . . 0.0 111.673 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.17 125.53 53.53 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.903 1.281 . . . . 0.0 109.264 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.44 HH21 ' HB2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -89.63 -70.09 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.926 1.691 . . . . 0.0 112.441 -176.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -131.62 73.54 1.54 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.371 1.468 . . . . 0.0 110.37 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.5 mt 67.32 -59.96 0.39 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 119.909 3.299 . . . . 0.0 119.909 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -96.74 136.66 36.97 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.741 1.616 . . . . 0.0 112.631 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.426 ' HA ' HH22 ' A' ' 125' ' ' ARG . 45.1 ttt180 -96.66 -57.55 0.19 Allowed Pre-proline 0 C--N 1.367 1.342 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.08 55.6 5.39 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 124.819 3.679 . . . . 0.0 114.319 -173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.79 -58.46 0.77 Allowed 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 128.425 2.69 . . . . 0.0 104.561 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.44 ' HB2' HH21 ' A' ' 125' ' ' ARG . 46.7 mtt85 -101.34 -30.23 11.6 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.901 1.28 . . . . 0.0 112.929 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.363 1.157 0 O-C-N 120.568 -1.333 . . . . 0.0 110.187 -176.24 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.458 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.287 79.9 p 79.08 64.92 0.19 Allowed Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 130.146 3.378 . . . . 0.0 113.802 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.67 171.6 7.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 123.675 2.917 . . . . 0.0 112.779 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 63.43 -117.1 0.49 Allowed 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.491 2.316 . . . . 0.0 116.066 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.8 22.93 11.36 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.471 1.508 . . . . 0.0 108.661 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.67 21.84 6.93 Favored 'General case' 0 C--N 1.366 1.316 0 O-C-N 120.221 -1.549 . . . . 0.0 110.965 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.69 153.13 19.34 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 130.373 3.469 . . . . 0.0 109.334 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -20.63 64.1 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 118.895 -2.378 . . . . 0.0 115.065 -177.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -52.91 -27.65 19.66 Favored 'General case' 0 C--N 1.36 1.022 1 C-N-CA 132.923 4.489 . . . . 0.0 114.888 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.49 -14.46 1.27 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 129.965 3.306 . . . . 0.0 113.696 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.8 -28.94 66.45 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 128.874 2.869 . . . . 0.0 113.582 167.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.28 -44.37 79.47 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 125.539 1.536 . . . . 0.0 111.654 172.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -69.58 -46.27 66.73 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 170.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.447 ' HB ' ' HE2' ' A' ' 17' ' ' MET . 72.3 p -78.74 -50.77 10.81 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 130.661 3.585 . . . . 0.0 115.447 -177.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.316 42.1 mmt180 76.52 173.35 0.23 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 129.007 2.923 . . . . 0.0 117.685 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -63.81 30.44 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.159 3.384 . . . . 0.0 119.153 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.447 ' HE2' ' HB ' ' A' ' 14' ' ' THR 0.316 0.0 OUTLIER -71.12 -33.39 70.08 Favored 'General case' 0 C--N 1.354 0.795 1 C-N-CA 132.309 4.243 . . . . 0.0 118.294 177.858 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -51.28 -18.15 0.89 Allowed 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.284 3.434 . . . . 0.0 119.369 -166.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -85.06 -45.68 11.88 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 125.15 1.38 . . . . 0.0 111.132 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -30.06 69.52 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 129.923 3.289 . . . . 0.0 115.498 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.539 27.7 m -74.45 -31.37 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -52.61 -37.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 C-N-CA 127.173 2.189 . . . . 0.0 115.464 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -29.71 61.5 Favored 'General case' 0 C--N 1.369 1.428 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 167.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 27' ' ' VAL 0.269 2.3 mt -76.51 -40.22 33.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 126.237 1.815 . . . . 0.0 113.327 176.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.397 4.0 pt -53.11 -30.23 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 121.035 1.743 . . . . 0.0 115.045 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.99 -22.65 67.02 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.943 2.097 . . . . 0.0 115.814 168.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.791 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.274 3.2 m -71.63 -53.56 20.16 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 C-N-CA 127.016 2.127 . . . . 0.0 110.957 176.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' CZ3' ' A' ' 98' ' ' TRP . 8.1 mp -64.76 -51.87 60.0 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 118.739 -2.475 . . . . 0.0 115.082 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.24 -27.39 22.03 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 130.903 3.681 . . . . 0.0 117.226 174.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.5 m -76.33 -50.56 13.96 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.226 2.61 . . . . 0.0 113.423 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -56.61 -30.72 63.57 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 128.323 2.649 . . . . 0.0 112.443 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.453 2.1 m-80 -59.88 -29.6 68.44 Favored 'General case' 0 C--N 1.36 1.053 1 C-N-CA 133.261 4.624 . . . . 0.0 116.996 -179.511 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.84 -40.62 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.768 -1.832 . . . . 0.0 113.344 173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.52 -25.88 60.62 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 129.527 3.131 . . . . 0.0 115.004 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.615 ' HB2' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -66.86 -31.41 72.01 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.288 2.635 . . . . 0.0 117.107 -177.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.282 3.1 pp0? -65.42 -10.09 30.8 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.503 2.721 . . . . 0.0 113.821 174.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.37 -47.26 2.66 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 113.068 -1.878 . . . . 0.0 108.22 -172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -126.18 133.7 51.48 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -46.29 67.08 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 129.079 2.952 . . . . 0.0 112.954 175.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . 52.0 p-10 -146.27 84.45 1.64 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-O 122.64 1.209 . . . . 0.0 110.44 176.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' H ' ' CD1' ' A' ' 41' ' ' LEU 0.259 0.0 OUTLIER -63.89 -29.28 70.48 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.194 2.998 . . . . 0.0 114.222 162.375 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.403 3.6 tp60 -99.92 40.01 0.03 OUTLIER Pre-proline 0 N--CA 1.431 -1.398 1 C-N-CA 138.278 6.631 . . . . 0.0 113.806 169.051 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 62.4 Cg_endo -41.35 -21.66 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.386 1 C-N-CA 128.75 6.3 . . . . 0.0 116.332 -172.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' ARG . 42.6 m-85 -161.46 157.57 25.27 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 131.367 3.867 . . . . 0.0 110.09 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . 0.291 1.0 OUTLIER -158.66 145.16 12.69 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 131.511 3.924 . . . . 0.0 107.295 179.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -73.35 160.95 43.83 Favored 'Trans proline' 0 CA--C 1.566 2.087 0 CA-C-N 128.271 3.99 . . . . 0.0 112.67 162.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.347 45.1 mt -56.29 -51.75 78.43 Favored Pre-proline 0 N--CA 1.498 1.941 0 C-N-CA 128.215 2.606 . . . . 0.0 112.198 175.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.695 2.2 Cg_endo -50.59 -16.0 1.96 Allowed 'Trans proline' 0 CA--C 1.565 2.055 1 C-N-CA 127.292 5.328 . . . . 0.0 119.317 157.602 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -54.93 -48.35 73.25 Favored 'General case' 0 N--CA 1.512 2.626 1 CA-C-N 126.832 4.378 . . . . 0.0 113.24 176.894 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.791 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.418 0.7 OUTLIER -68.0 -31.35 51.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 C-N-CA 128.876 2.87 . . . . 0.0 109.938 176.335 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 54' ' ' LEU 0.288 0.0 OUTLIER -62.54 -39.68 94.35 Favored 'General case' 0 C--N 1.378 1.814 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 160.714 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.01 -12.65 0.62 Allowed 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 124.743 3.429 . . . . 0.0 117.018 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . 0.286 14.6 m -89.91 -17.9 27.12 Favored 'General case' 0 N--CA 1.44 -0.957 1 C-N-CA 136.03 5.732 . . . . 0.0 118.535 175.329 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 51' ' ' ARG 0.387 0.3 OUTLIER -68.8 -40.77 79.39 Favored 'General case' 0 C--N 1.4 2.801 0 CA-C-N 122.256 2.298 . . . . 0.0 110.419 -169.752 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -154.69 154.06 7.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 129.832 3.253 . . . . 0.0 106.996 -171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -90.94 -49.3 0.34 Allowed Pre-proline 0 C--N 1.37 1.47 1 N-CA-C 122.402 4.223 . . . . 0.0 122.402 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.7 Cg_endo -83.68 -137.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 124.792 3.661 . . . . 0.0 113.372 -171.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 12.7 p-80 -66.02 -26.52 67.57 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 130.559 3.544 . . . . 0.0 114.974 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -86.75 6.98 28.77 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 128.5 2.72 . . . . 0.0 112.455 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 54' ' ' LEU 0.309 0.0 OUTLIER -46.8 -43.39 18.32 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.775 2.83 . . . . 0.0 115.735 -178.074 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 51' ' ' ARG 0.348 6.8 tmtt? -69.99 -25.64 63.7 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 129.044 2.938 . . . . 0.0 115.536 171.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.275 4.9 tmmm? -55.14 -28.59 53.83 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -173.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 40.5 mtm -101.76 2.53 38.56 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.553 -1.342 . . . . 0.0 109.746 166.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 51' ' ' ARG 0.275 16.2 pttt -62.98 -42.83 99.95 Favored 'General case' 0 C--N 1.395 2.582 0 CA-C-N 122.366 2.348 . . . . 0.0 112.324 174.256 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -50.75 -38.73 49.36 Favored 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 131.41 3.884 . . . . 0.0 113.658 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.44 -41.11 35.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.046 0 C-N-CA 127.288 2.235 . . . . 0.0 110.695 168.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 63.8 t-105 -55.37 -35.72 65.56 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.914 2.086 . . . . 0.0 113.477 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -54.81 -37.16 65.76 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.567 1.947 . . . . 0.0 114.492 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.72 7.4 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 129.54 3.136 . . . . 0.0 112.51 167.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -55.13 -32.04 61.77 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.146 2.579 . . . . 0.0 115.815 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.29 -37.68 18.6 Favored 'Isoleucine or valine' 0 C--N 1.376 1.76 1 C-N-CA 131.721 4.008 . . . . 0.0 111.942 167.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.92 -49.3 75.31 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.056 1.743 . . . . 0.0 112.311 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -68.51 -57.29 6.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 121.061 -1.025 . . . . 0.0 113.547 169.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.48 -41.5 98.84 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.04 71.32 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 173.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.75 62.96 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-N 121.795 2.089 . . . . 0.0 112.564 175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -109.63 57.57 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 O-C-N 121.435 -0.79 . . . . 0.0 112.056 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.317 27.6 tt0 119.24 99.5 0.0 OUTLIER 'General case' 0 C--N 1.373 1.588 0 C-N-CA 130.695 3.598 . . . . 0.0 115.924 172.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -139.64 110.24 6.69 Favored 'General case' 0 C--N 1.363 1.173 0 O-C-N 120.259 -1.526 . . . . 0.0 110.96 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.99 -1.67 20.37 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.047 1.339 . . . . 0.0 111.537 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.47 133.81 36.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 126.946 2.098 . . . . 0.0 107.358 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -101.5 155.54 18.02 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.474 -1.391 . . . . 0.0 113.198 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -112.27 124.21 51.97 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.053 1.741 . . . . 0.0 109.363 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.51 162.44 36.56 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 120.321 -1.487 . . . . 0.0 108.445 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.18 110.93 17.14 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.197 2.999 . . . . 0.0 109.032 176.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -127.15 130.93 50.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -89.42 111.11 21.9 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 110.6 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.6 115.79 17.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 C-N-CA 124.954 1.302 . . . . 0.0 108.184 -171.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.52 21.28 78.99 Favored Glycine 0 N--CA 1.5 2.909 0 C-N-CA 124.458 1.028 . . . . 0.0 113.056 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.08 13.62 71.17 Favored Glycine 0 C--N 1.358 1.762 0 C-N-CA 125.849 1.69 . . . . 0.0 115.273 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.67 137.55 36.96 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.372 2.086 . . . . 0.0 109.847 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -93.17 120.23 33.23 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 128.052 2.541 . . . . 0.0 113.722 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.79 175.64 6.42 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 110.63 23.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 m -116.16 150.52 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.84 139.81 36.97 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.528 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 44' ' ' TYR . 20.2 mtp180 -128.25 152.53 47.99 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 118.128 -2.857 . . . . 0.0 110.544 178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.457 ' CZ3' ' HG ' ' A' ' 28' ' ' LEU . 1.5 t-105 -90.31 107.96 19.47 Favored 'General case' 0 C--N 1.363 1.186 0 CA-C-N 119.809 1.186 . . . . 0.0 112.079 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.6 pt -119.68 106.21 18.71 Favored 'Isoleucine or valine' 0 C--N 1.372 1.583 0 CA-C-N 121.212 1.823 . . . . 0.0 111.025 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.615 ' HG3' ' HB2' ' A' ' 35' ' ' CYS . 24.4 mm100 -116.37 153.55 48.77 Favored Pre-proline 0 C--N 1.372 1.574 0 C-N-CA 125.806 1.643 . . . . 0.0 114.268 -174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -66.47 157.69 59.23 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 124.431 3.421 . . . . 0.0 116.269 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t 87.75 83.89 0.02 OUTLIER 'General case' 0 C--N 1.36 1.05 0 C-N-CA 129.126 2.97 . . . . 0.0 113.909 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -173.48 -175.62 1.17 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.277 7.7 t 93.56 11.27 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 128.268 2.627 . . . . 0.0 114.665 176.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 62.0 m -75.17 67.38 1.8 Allowed 'General case' 0 C--N 1.368 1.389 0 C-N-CA 126.81 2.044 . . . . 0.0 114.969 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -139.59 121.34 15.39 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 72.92 -59.05 0.58 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 127.936 2.494 . . . . 0.0 114.467 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.294 42.5 mm 88.98 133.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 130.545 3.538 . . . . 0.0 110.014 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 56.7 0.83 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.578 2.351 . . . . 0.0 113.99 -177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.59 -29.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.567 2.747 . . . . 0.0 113.979 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.4 pt -112.5 116.36 48.43 Favored Pre-proline 0 C--N 1.354 0.776 0 C-N-CA 126.296 1.838 . . . . 0.0 107.545 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.85 -3.7 12.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 124.204 3.27 . . . . 0.0 113.926 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.4 m -169.04 146.29 3.64 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -169.61 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-O 123.182 1.468 . . . . 0.0 107.115 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.8 p -151.11 167.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 101.874 -3.38 . . . . 0.0 101.874 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -104.52 162.49 13.2 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 126.154 1.781 . . . . 0.0 110.584 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -87.55 143.13 27.36 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 128.227 2.611 . . . . 0.0 111.748 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 136.13 -38.68 1.74 Allowed Glycine 0 C--N 1.36 1.863 0 C-N-CA 124.074 0.845 . . . . 0.0 112.365 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -85.29 83.6 7.93 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.957 1.703 . . . . 0.0 114.386 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . 0.307 . . 109.94 -20.84 0.01 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 129.121 2.968 . . . . 0.0 114.806 177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -79.39 77.98 5.91 Favored 'General case' 0 C--N 1.364 1.233 0 O-C-N 119.603 -1.935 . . . . 0.0 112.806 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -112.19 18.37 18.7 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.548 1.539 . . . . 0.0 111.984 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.272 3.4 mm? 72.76 85.56 0.12 Allowed 'General case' 0 C--N 1.366 1.289 0 C-N-CA 129.293 3.037 . . . . 0.0 114.774 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.73 61.1 2.93 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.288 1.835 . . . . 0.0 114.403 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -113.9 4.47 15.83 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.899 1.679 . . . . 0.0 110.126 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -72.11 74.84 0.95 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 128.238 2.615 . . . . 0.0 114.81 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.269 74.2 mt 84.41 49.05 0.01 OUTLIER 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.899 3.28 . . . . 0.0 111.323 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.55 95.66 3.95 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.062 1.745 . . . . 0.0 113.896 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 67.27 57.06 0.83 Allowed Pre-proline 0 C--N 1.355 0.82 0 N-CA-C 119.822 3.268 . . . . 0.0 119.822 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.63 58.23 5.32 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 124.024 3.15 . . . . 0.0 109.737 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 73.51 -33.78 0.27 Allowed 'General case' 0 C--N 1.362 1.148 0 C-N-CA 129.238 3.015 . . . . 0.0 115.824 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -99.03 162.84 12.85 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 127.964 2.505 . . . . 0.0 111.013 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 . . . . . 0 C--N 1.36 1.06 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -176.651 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.162 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -118.07 91.77 40.78 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.811 2.044 . . . . 0.0 111.023 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -77.52 -170.6 0.97 Allowed 'Trans proline' 0 C--N 1.368 1.591 1 C-N-CA 125.302 4.001 . . . . 0.0 114.65 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -86.06 -27.89 24.45 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.702 1.601 . . . . 0.0 113.78 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.35 37.7 t80 94.79 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 130.999 3.72 . . . . 0.0 110.385 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.344 0.0 OUTLIER 37.53 84.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.654 1 C-N-CA 134.003 4.921 . . . . 0.0 118.018 175.929 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -127.43 -160.29 1.0 Allowed 'General case' 0 C--N 1.366 1.296 0 C-N-CA 127.349 2.26 . . . . 0.0 110.21 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -14.47 1.46 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 130.783 3.633 . . . . 0.0 120.073 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -29.21 64.74 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 118.992 -2.317 . . . . 0.0 114.444 171.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.67 -14.25 3.11 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 128.451 2.7 . . . . 0.0 115.269 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -68.88 -30.29 68.75 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 131.336 3.854 . . . . 0.0 112.815 168.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -74.57 -39.5 62.21 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.573 1.949 . . . . 0.0 110.65 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.2 -36.71 82.3 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.758 2.423 . . . . 0.0 115.035 170.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.481 17.9 p -78.09 -27.33 48.45 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 130.872 3.669 . . . . 0.0 116.28 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -77.64 26.92 0.17 Allowed 'General case' 0 C--N 1.373 1.597 0 O-C-N 119.738 -1.851 . . . . 0.0 113.938 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -148.62 135.64 20.05 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.269 3.427 . . . . 0.0 106.23 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 1.02 12.0 mmt -70.21 -29.68 66.59 Favored 'General case' 0 C--N 1.36 1.024 2 N-CA-C 123.937 4.791 . . . . 0.0 123.937 -176.27 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -16.15 0.09 Allowed 'General case' 0 CA--C 1.557 1.239 1 N-CA-C 129.053 6.686 . . . . 0.0 129.053 -162.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.75 -153.05 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 123.591 2.905 . . . . 0.0 114.95 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.44 0.0 OUTLIER -55.28 -23.09 21.22 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 130.742 3.617 . . . . 0.0 115.447 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -57.66 -33.84 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 118.893 2.923 . . . . 0.0 118.893 172.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.26 -35.37 65.59 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 CA-C-N 121.727 2.058 . . . . 0.0 114.686 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.91 -39.87 63.55 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.604 2.761 . . . . 0.0 114.483 176.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' VAL 0.452 1.6 mt -76.05 -35.05 28.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 C-N-CA 128.788 2.835 . . . . 0.0 114.303 176.342 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.339 7.0 pt -53.39 -29.44 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-N 122.899 2.591 . . . . 0.0 114.044 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.54 -25.76 68.39 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 170.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 25.2 t -70.94 -55.47 13.95 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 C-N-CA 129.776 3.23 . . . . 0.0 110.442 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.67 -51.4 42.34 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.181 -2.824 . . . . 0.0 116.141 174.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -51.56 -27.0 9.7 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 128.015 2.526 . . . . 0.0 116.607 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.15 15.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 129.28 3.032 . . . . 0.0 113.254 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.34 -45.96 87.13 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 130.772 3.629 . . . . 0.0 108.693 172.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.335 49.1 m-80 -57.34 -30.2 64.62 Favored 'General case' 0 C--N 1.365 1.256 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -73.29 -45.12 57.41 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 117.504 -3.247 . . . . 0.0 115.641 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.1 62.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.251 2.62 . . . . 0.0 114.702 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 100' ' ' GLN . 8.9 p -56.21 -33.93 65.81 Favored 'General case' 0 CA--C 1.496 -1.126 0 C-N-CA 128.493 2.717 . . . . 0.0 117.547 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -63.03 -11.77 21.57 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 126.792 2.037 . . . . 0.0 114.578 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -20.77 13.28 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 128.266 2.627 . . . . 0.0 114.856 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -113.56 -178.02 3.27 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.812 1.645 . . . . 0.0 108.257 -169.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -72.19 0.39 Allowed 'General case' 0 C--N 1.36 1.04 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 167.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.26 0.3 OUTLIER -151.98 86.73 1.31 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.45 2.7 . . . . 0.0 106.912 172.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 38' ' ' ASN 0.311 0.4 OUTLIER -42.81 -41.27 3.18 Favored 'General case' 0 C--N 1.368 1.39 1 C-N-CA 137.297 6.239 . . . . 0.0 119.302 -176.638 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.29 36.93 0.04 OUTLIER Pre-proline 0 N--CA 1.438 -1.028 1 C-N-CA 141.51 7.924 . . . . 0.0 111.725 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -45.12 -31.85 6.26 Favored 'Trans proline' 0 C--N 1.389 2.677 1 C-N-CA 128.726 6.284 . . . . 0.0 117.2 -155.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -162.87 146.25 11.01 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 129.854 3.262 . . . . 0.0 104.847 171.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.32 145.51 50.01 Favored Pre-proline 0 C--N 1.359 0.991 0 C-N-CA 127.883 2.473 . . . . 0.0 109.026 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -69.68 169.17 19.44 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 124.986 3.79 . . . . 0.0 112.177 166.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.338 53.7 mt -59.96 -51.69 78.86 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 119.958 -1.714 . . . . 0.0 112.581 175.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 51' ' ' ARG 0.61 2.4 Cg_endo -50.81 -16.45 2.42 Favored 'Trans proline' 0 CA--C 1.555 1.574 1 C-N-CA 127.251 5.301 . . . . 0.0 119.551 159.049 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -54.43 -47.08 73.24 Favored 'General case' 0 N--CA 1.504 2.256 1 CA-C-N 126.142 4.065 . . . . 0.0 113.461 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.385 1.1 m -66.01 -32.77 59.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 126.824 2.05 . . . . 0.0 111.075 175.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.745 ' O ' HD22 ' A' ' 54' ' ' LEU 0.29 0.0 OUTLIER -64.18 -35.63 81.41 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.425 1.49 . . . . 0.0 114.939 162.423 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.76 -13.77 1.16 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 116.556 -3.84 . . . . 0.0 116.488 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -91.0 -28.37 18.05 Favored 'General case' 0 N--CA 1.441 -0.918 1 C-N-CA 132.498 4.319 . . . . 0.0 117.296 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 51' ' ' ARG 0.316 0.0 OUTLIER -69.24 -32.33 71.48 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 120.738 1.608 . . . . 0.0 111.844 -165.138 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HD2' ' A' ' 57' ' ' PRO . 3.4 mp -155.86 140.14 8.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 130.63 3.572 . . . . 0.0 103.096 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.25 7.0 mt-30 -91.13 -37.67 0.38 Allowed Pre-proline 0 CA--C 1.562 1.426 1 N-CA-C 123.861 4.763 . . . . 0.0 123.861 -179.545 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 55' ' ' ILE . 34.5 Cg_endo -83.87 -132.38 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 125.217 3.945 . . . . 0.0 113.96 -172.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 61.1 m170 -75.84 -27.09 57.73 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 127.696 2.398 . . . . 0.0 113.479 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -83.87 6.66 20.74 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 130.775 3.63 . . . . 0.0 111.914 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.606 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.71 -53.66 11.29 Favored 'General case' 0 C--N 1.377 1.789 0 C-N-CA 129.646 3.178 . . . . 0.0 114.817 -177.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.671 3.9 tmtt? -60.82 -24.27 65.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 130.137 3.375 . . . . 0.0 117.563 172.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -52.96 -18.71 2.12 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 120.118 3.377 . . . . 0.0 120.118 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.37 74.8 mtm -115.11 5.85 14.99 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 123.69 0.796 . . . . 0.0 111.713 165.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 8.8 tttp -71.31 -32.14 68.26 Favored 'General case' 0 C--N 1.381 1.977 0 O-C-N 119.904 -1.748 . . . . 0.0 110.847 171.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.41 -41.32 98.6 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.879 1.672 . . . . 0.0 114.496 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.35 2.5 p -76.25 -32.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.411 1.884 . . . . 0.0 111.173 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -54.9 -38.43 67.58 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 127.354 2.262 . . . . 0.0 113.202 174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -58.64 -38.72 78.7 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.534 2.734 . . . . 0.0 114.505 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -77.5 -48.61 16.65 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.058 2.143 . . . . 0.0 113.443 166.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.13 72.09 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.732 2.813 . . . . 0.0 116.154 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.45 -31.88 44.22 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 C-N-CA 129.63 3.172 . . . . 0.0 114.537 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.22 -43.2 95.72 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 128.902 2.881 . . . . 0.0 111.77 171.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -43.55 98.56 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 127.991 2.516 . . . . 0.0 112.41 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.16 -51.68 65.46 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.44 -16.43 36.15 Favored 'General case' 0 C--N 1.375 1.708 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.12 -9.84 46.85 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.187 1.795 . . . . 0.0 111.444 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -113.97 3.06 15.22 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 127.596 2.359 . . . . 0.0 110.636 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 47.0 mm-40 73.17 157.05 0.18 Allowed 'General case' 0 C--N 1.363 1.184 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 173.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -166.96 142.35 4.19 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.8 -1.813 . . . . 0.0 107.479 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 8.76 11.37 Favored 'General case' 0 C--N 1.364 1.217 0 O-C-N 120.312 -1.493 . . . . 0.0 114.418 -176.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.589 HG22 ' HB2' ' A' ' 98' ' ' TRP . 87.2 t -105.12 116.68 49.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HB3' HH21 ' A' ' 97' ' ' ARG . 72.9 ttt180 -107.47 147.93 29.84 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 125.85 1.66 . . . . 0.0 110.887 -174.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -90.16 123.47 34.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.231 1.412 . . . . 0.0 112.232 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -135.9 148.82 48.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.752 -1.218 . . . . 0.0 108.834 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.85 110.8 17.48 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.725 2.41 . . . . 0.0 108.244 175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -134.89 152.33 51.65 Favored 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 120.512 -1.368 . . . . 0.0 108.232 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -87.5 113.12 22.91 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.562 1.145 . . . . 0.0 109.556 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.71 104.52 15.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.91 25.37 75.36 Favored Glycine 0 N--CA 1.503 3.111 0 C-N-CA 124.406 1.003 . . . . 0.0 114.76 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.17 5.71 63.64 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 124.891 1.234 . . . . 0.0 115.675 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.93 138.6 52.7 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.158 2.479 . . . . 0.0 109.574 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -81.62 108.55 15.28 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 127.284 2.233 . . . . 0.0 109.86 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -118.79 164.99 14.57 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.114 1.365 . . . . 0.0 108.428 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.0 109.25 21.67 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 p -116.12 150.25 18.14 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -170.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 5.4 m0 -102.61 132.6 48.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.448 HH21 ' HB3' ' A' ' 82' ' ' ARG 0.259 0.0 OUTLIER -150.03 156.5 41.8 Favored 'General case' 0 C--N 1.369 1.425 0 O-C-N 118.37 -2.706 . . . . 0.0 106.999 174.746 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.589 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.507 0.0 OUTLIER -123.21 146.1 48.1 Favored 'General case' 0 C--N 1.358 0.959 1 N-CA-C 126.345 5.683 . . . . 0.0 126.345 -161.866 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.19 137.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 127.029 2.132 . . . . 0.0 109.436 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.593 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -140.14 155.39 70.56 Favored Pre-proline 0 C--N 1.354 0.784 0 C-N-CA 131.666 3.987 . . . . 0.0 108.908 -171.105 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -66.44 160.04 47.57 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 125.227 3.952 . . . . 0.0 118.391 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.321 2.8 t 91.05 -7.41 0.27 Allowed 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.625 3.17 . . . . 0.0 116.289 172.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.91 82.83 0.0 OUTLIER 'General case' 0 C--N 1.36 1.036 0 C-N-CA 131.556 3.942 . . . . 0.0 116.621 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.0 t 93.43 18.11 0.02 OUTLIER 'General case' 0 C--N 1.371 1.52 0 C-N-CA 129.007 2.923 . . . . 0.0 109.158 -175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 76.8 m 78.87 -51.45 0.45 Allowed 'General case' 0 C--N 1.379 1.869 0 C-N-CA 128.207 2.603 . . . . 0.0 112.702 -177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . 0.45 2.7 p30 75.6 25.72 1.18 Allowed 'General case' 0 C--N 1.36 1.037 1 C-N-CA 132.02 4.128 . . . . 0.0 114.927 178.023 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -93.18 -43.08 9.02 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.138 1.775 . . . . 0.0 113.344 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.0 tt -154.32 172.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 tp -120.85 134.15 55.3 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.97 32.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 C-N-CA 125.187 1.395 . . . . 0.0 112.197 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 42.3 mm -114.38 102.85 55.09 Favored Pre-proline 0 C--N 1.359 1.002 0 C-N-CA 126.525 1.93 . . . . 0.0 107.855 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.68 -94.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.912 3.741 . . . . 0.0 111.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p -151.54 -66.73 0.18 Allowed 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -121.35 -147.36 0.39 Allowed 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.448 2.299 . . . . 0.0 106.569 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.4 76.77 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.092 1.757 . . . . 0.0 113.457 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.274 1.9 m0 70.75 51.18 0.33 Allowed 'General case' 0 C--N 1.362 1.147 0 C-N-CA 130.675 3.59 . . . . 0.0 117.764 172.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -107.25 95.91 6.04 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.258 1.823 . . . . 0.0 112.352 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.89 17.87 33.91 Favored Glycine 0 C--N 1.362 2.01 0 N-CA-C 118.062 1.985 . . . . 0.0 118.062 169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -105.89 175.25 5.56 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 123.356 1.55 . . . . 0.0 114.225 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -111.06 -176.34 2.93 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.793 1.637 . . . . 0.0 109.683 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -141.83 45.93 1.68 Allowed 'General case' 0 C--N 1.362 1.117 0 CA-C-O 122.627 1.203 . . . . 0.0 108.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -70.19 58.51 0.17 Allowed 'General case' 0 C--N 1.367 1.342 0 C-N-CA 129.723 3.209 . . . . 0.0 113.788 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.8 tp -153.94 -43.46 0.09 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 128.694 2.798 . . . . 0.0 106.877 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . 0.253 30.8 m-20 73.25 13.24 4.74 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 127.704 2.402 . . . . 0.0 116.833 174.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -74.66 56.38 0.7 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 128.221 2.609 . . . . 0.0 114.903 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -98.52 -30.97 12.21 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.203 2.201 . . . . 0.0 111.997 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 tp 80.99 42.44 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.421 2.688 . . . . 0.0 111.43 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' H ' HH21 ' A' ' 132' ' ' ARG . 5.5 tm-20 -79.49 -27.8 41.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.959 2.903 . . . . 0.0 114.82 -174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -101.3 136.96 19.55 Favored Pre-proline 0 C--N 1.357 0.907 0 O-C-N 120.487 -1.383 . . . . 0.0 108.828 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.58 -17.4 29.98 Favored 'Trans proline' 0 C--N 1.366 1.481 0 C-N-CA 124.944 3.763 . . . . 0.0 112.905 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -81.93 3.27 26.97 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.809 2.444 . . . . 0.0 113.563 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.432 HH21 ' H ' ' A' ' 128' ' ' GLU . 71.6 mtm180 -113.26 4.4 16.44 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.198 1.399 . . . . 0.0 110.811 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.362 1.131 0 C-N-CA 126.907 2.083 . . . . 0.0 111.101 -178.558 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.363 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . 0.306 79.4 p 77.81 67.96 0.2 Allowed Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 130.052 3.341 . . . . 0.0 114.003 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.67 171.94 12.8 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.4 3.4 . . . . 0.0 112.658 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.87 -40.23 13.26 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.019 1.728 . . . . 0.0 114.298 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 65.53 34.26 8.04 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 129.207 3.003 . . . . 0.0 115.565 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -75.39 47.26 0.37 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 119.28 -2.138 . . . . 0.0 115.674 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -120.48 166.84 13.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 127.339 2.256 . . . . 0.0 113.538 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -14.27 61.85 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.998 2.519 . . . . 0.0 115.554 -177.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.4 35.3 mtmm -70.49 -25.68 63.26 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 130.529 3.532 . . . . 0.0 112.749 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.05 -14.46 1.56 Allowed 'General case' 0 C--N 1.377 1.8 0 C-N-CA 129.654 3.182 . . . . 0.0 115.438 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.17 -32.33 72.07 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.975 2.91 . . . . 0.0 114.247 168.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.8 -41.67 59.55 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 119.889 1.222 . . . . 0.0 111.911 175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.65 -46.21 91.18 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.523 3.129 . . . . 0.0 115.36 171.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 p -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 128.754 2.822 . . . . 0.0 115.333 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.324 52.6 mtm180 83.45 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.886 2.874 . . . . 0.0 111.493 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -85.15 43.67 1.03 Allowed 'General case' 0 C--N 1.364 1.205 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.6 ptp -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.368 1.376 0 C-N-CA 125.154 1.381 . . . . 0.0 114.019 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -52.72 -16.05 0.87 Allowed 'General case' 0 C--N 1.359 1.016 1 C-N-CA 132.74 4.416 . . . . 0.0 117.15 -177.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -78.48 -101.31 0.02 OUTLIER 'General case' 0 C--N 1.364 1.232 0 C-N-CA 127.867 2.467 . . . . 0.0 111.221 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.446 ' HB3' HH12 ' A' ' 51' ' ' ARG 0.356 46.9 mmm -76.39 -25.01 54.11 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 119.361 3.097 . . . . 0.0 119.361 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.431 0.7 OUTLIER -70.35 -32.4 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 118.365 -2.71 . . . . 0.0 116.662 -176.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.286 3.4 m -52.04 -33.38 16.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 N-CA-C 118.095 2.628 . . . . 0.0 118.095 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -73.77 -48.82 28.8 Favored 'General case' 0 C--N 1.372 1.551 0 O-C-N 119.279 -2.138 . . . . 0.0 112.386 169.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.62 HD12 HH11 ' A' ' 51' ' ' ARG 0.506 13.4 mt -55.6 -35.21 37.69 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 C-N-CA 128.992 2.917 . . . . 0.0 116.925 179.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.262 9.0 pt -53.2 -29.52 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.138 -1.601 . . . . 0.0 114.171 171.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.26 -28.71 67.44 Favored 'General case' 0 C--N 1.372 1.571 0 C-N-CA 126.198 1.799 . . . . 0.0 115.309 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.329 30.7 m -61.56 -53.39 49.09 Favored 'Isoleucine or valine' 0 C--N 1.395 2.57 0 CA-C-N 123.691 2.951 . . . . 0.0 112.586 173.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.7 mm? -69.53 -52.66 24.33 Favored 'General case' 0 C--N 1.373 1.6 0 O-C-N 118.869 -2.395 . . . . 0.0 115.235 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -51.62 -28.23 13.66 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 131.283 3.833 . . . . 0.0 116.715 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.7 m -77.88 -49.15 14.8 Favored 'General case' 0 CA--C 1.496 -1.1 0 C-N-CA 129.414 3.086 . . . . 0.0 113.499 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.38 1.897 0 CA-C-O 122.695 1.236 . . . . 0.0 110.209 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 35' ' ' CYS . 2.7 m-80 -52.73 -30.74 34.13 Favored 'General case' 0 C--N 1.365 1.267 1 C-N-CA 133.653 4.781 . . . . 0.0 116.911 174.179 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.65 -43.55 65.88 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 126.849 2.06 . . . . 0.0 114.243 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -23.53 61.62 Favored 'General case' 0 C--N 1.359 0.982 1 C-N-CA 132.191 4.196 . . . . 0.0 114.725 173.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 32' ' ' ASN 0.328 0.1 OUTLIER -60.1 -29.99 68.96 Favored 'General case' 0 CA--C 1.479 -1.764 1 C-N-CA 133.839 4.856 . . . . 0.0 113.428 -173.79 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -13.34 0.31 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 130.142 3.377 . . . . 0.0 115.911 171.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -96.78 -37.93 10.08 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.956 2.102 . . . . 0.0 113.066 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -121.95 179.48 4.5 Favored 'General case' 0 CA--C 1.487 -1.471 0 CA-C-N 114.52 -1.218 . . . . 0.0 112.272 -157.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -63.96 1.24 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 123.817 0.847 . . . . 0.0 112.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.01 85.77 1.42 Allowed 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 97.186 -5.116 . . . . 0.0 97.186 176.446 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 35' ' ' CYS 0.301 3.2 pp -56.3 -46.6 79.73 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 129.26 3.024 . . . . 0.0 117.954 -175.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -101.55 37.17 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.393 1 C-N-CA 137.281 6.233 . . . . 0.0 111.426 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' ARG . 9.9 Cg_endo -41.8 -41.56 6.17 Favored 'Trans proline' 0 C--N 1.365 1.415 1 C-N-CA 127.966 5.777 . . . . 0.0 118.875 -141.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CE2' HG11 ' A' ' 95' ' ' VAL 0.368 65.4 t80 -142.36 137.67 30.67 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 129.523 3.129 . . . . 0.0 111.093 -171.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 157.24 59.43 Favored Pre-proline 0 C--N 1.374 1.651 0 C-N-CA 126.829 2.052 . . . . 0.0 110.175 175.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.32 170.83 19.48 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 124.939 3.759 . . . . 0.0 111.539 172.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 61.7 mt -62.68 -51.83 69.26 Favored Pre-proline 0 N--CA 1.491 1.583 0 C-N-CA 125.306 1.442 . . . . 0.0 111.848 176.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.413 10.0 Cg_exo -54.75 -18.58 16.35 Favored 'Trans proline' 0 CA--C 1.543 0.936 1 C-N-CA 126.197 4.598 . . . . 0.0 119.686 164.634 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.79 -48.38 81.92 Favored 'General case' 0 N--CA 1.508 2.47 1 CA-C-N 127.333 4.606 . . . . 0.0 113.587 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.291 1.9 m -68.98 -33.48 59.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 128.947 2.899 . . . . 0.0 110.223 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.62 HH11 HD12 ' A' ' 24' ' ' ILE . 8.2 tpt180 -70.24 -39.94 74.75 Favored 'General case' 0 N--CA 1.434 -1.239 0 CA-C-O 116.655 -1.64 . . . . 0.0 112.493 163.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.28 -12.8 0.44 Allowed 'General case' 0 C--N 1.385 2.127 0 CA-C-N 125.896 3.953 . . . . 0.0 117.536 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 t -77.53 -16.34 58.73 Favored 'General case' 0 CA--C 1.546 0.806 1 C-N-CA 138.098 6.559 . . . . 0.0 114.858 170.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.595 HD12 ' HG3' ' A' ' 51' ' ' ARG 0.262 0.0 OUTLIER -68.01 -28.85 67.77 Favored 'General case' 0 C--N 1.392 2.428 0 CA-C-N 121.733 2.06 . . . . 0.0 109.502 -170.702 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -147.47 158.73 8.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 1 N-CA-C 97.406 -5.035 . . . . 0.0 97.406 171.025 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -49.61 0.36 Allowed Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -88.95 -121.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 124.668 3.579 . . . . 0.0 114.498 -168.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -76.14 -27.36 56.99 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 130.064 3.346 . . . . 0.0 116.759 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.21 4.53 48.32 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.858 2.063 . . . . 0.0 110.279 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.583 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -50.02 -34.95 22.89 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 128.247 2.619 . . . . 0.0 117.405 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.9 0.3 OUTLIER -72.03 -24.43 61.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 117.536 2.421 . . . . 0.0 117.536 168.946 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -54.38 -22.78 13.28 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 119.437 3.125 . . . . 0.0 119.437 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.525 ' H ' HD21 ' A' ' 54' ' ' LEU 0.39 11.0 mtm -112.24 0.2 15.7 Favored 'General case' 0 C--N 1.364 1.205 0 O-C-N 120.581 -1.324 . . . . 0.0 110.349 167.264 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 4.3 tttp -68.71 -29.64 68.11 Favored 'General case' 0 C--N 1.381 1.956 0 O-C-N 118.783 -2.448 . . . . 0.0 110.924 176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.12 -36.43 84.24 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.471 2.6 p -76.41 -30.17 19.38 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 0 C-N-CA 127.268 2.227 . . . . 0.0 111.58 170.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -50.55 -37.85 41.75 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.58 1.952 . . . . 0.0 115.06 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -54.26 -43.08 70.64 Favored 'General case' 0 CA--C 1.542 0.657 1 C-N-CA 132.525 4.33 . . . . 0.0 111.53 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -77.58 -45.55 24.94 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.248 2.219 . . . . 0.0 115.083 165.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.9 68.97 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.067 2.947 . . . . 0.0 115.85 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.42 -33.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 C-N-CA 130.972 3.709 . . . . 0.0 113.186 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.24 -48.65 79.72 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.105 2.162 . . . . 0.0 111.627 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.56 -46.96 68.09 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.415 3.086 . . . . 0.0 114.486 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -68.29 -50.54 52.95 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 122.004 2.184 . . . . 0.0 115.598 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.11 51.27 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.7 -16.27 63.31 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.542 2.337 . . . . 0.0 114.905 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -105.95 -1.17 24.37 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.08 1.752 . . . . 0.0 112.192 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG3' ' H ' ' A' ' 79' ' ' SER 0.274 5.9 tp10 86.69 -160.79 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.033 2.533 . . . . 0.0 113.785 179.498 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.511 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 4.4 m 174.77 169.54 0.26 Allowed 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -95.2 -1.32 51.95 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.842 1.657 . . . . 0.0 113.671 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 98' ' ' TRP 0.284 2.6 m -103.98 146.86 10.91 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 CA-C-N 119.522 1.055 . . . . 0.0 110.701 175.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -111.99 140.69 46.45 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.075 1.75 . . . . 0.0 107.421 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.7 m -101.59 120.12 39.83 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.822 1.649 . . . . 0.0 110.983 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.49 145.79 51.4 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.129 0.971 . . . . 0.0 109.101 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.54 110.97 19.09 Favored 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.038 2.535 . . . . 0.0 107.756 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.5 tpt85 -138.42 145.95 41.58 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.69 118.69 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.72 1.608 . . . . 0.0 111.715 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . 0.253 0.1 OUTLIER -139.07 134.54 41.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 O-C-N 120.882 -1.136 . . . . 0.0 108.067 176.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.66 17.38 66.9 Favored Glycine 0 N--CA 1.501 2.994 0 C-N-CA 125.091 1.329 . . . . 0.0 114.1 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.84 5.49 66.34 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 125.665 1.603 . . . . 0.0 114.67 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.7 149.46 50.49 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 122.126 2.963 . . . . 0.0 110.942 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -81.77 108.78 15.59 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 129.738 3.215 . . . . 0.0 111.177 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.35 159.52 17.91 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 125.854 1.662 . . . . 0.0 108.945 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mp -97.14 110.09 22.71 Favored 'General case' 0 C--N 1.364 1.209 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.5 HG11 ' CE2' ' A' ' 44' ' ' TYR 0.25 3.4 p -115.39 148.98 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -171.303 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -102.8 129.98 49.64 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 105.051 -2.203 . . . . 0.0 105.051 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' PRO . 15.8 ptm180 -143.91 139.73 29.34 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 101.554 -3.498 . . . . 0.0 101.554 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.632 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.601 0.0 OUTLIER -126.45 144.7 50.76 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 120.009 3.337 . . . . 0.0 120.009 177.445 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . 0.334 0.2 OUTLIER -80.42 138.46 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 1 C-N-CA 132.912 4.485 . . . . 0.0 108.002 170.745 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -118.89 120.26 31.56 Favored Pre-proline 0 C--N 1.35 0.619 0 O-C-N 117.821 -3.049 . . . . 0.0 112.783 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -67.61 130.17 21.55 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.993 2.462 . . . . 0.0 117.134 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.376 36.8 p 84.42 170.53 0.08 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 128.438 2.695 . . . . 0.0 116.981 171.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.33 65.91 1.37 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.463 1.505 . . . . 0.0 107.296 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t 79.15 -31.32 0.14 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 128.27 2.628 . . . . 0.0 114.132 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.5 t -81.28 -173.75 4.52 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 128.945 2.898 . . . . 0.0 113.301 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -93.24 -174.56 3.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 125.912 1.685 . . . . 0.0 113.626 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 82.2 tttt 78.34 80.22 0.07 Allowed 'General case' 0 C--N 1.364 1.203 0 C-N-CA 128.157 2.583 . . . . 0.0 112.146 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.9 mm -81.66 67.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 125.361 1.464 . . . . 0.0 112.65 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 tp -104.33 128.75 52.19 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.083 2.153 . . . . 0.0 106.567 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.01 -42.2 85.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 126.767 2.027 . . . . 0.0 115.973 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.8 mm 72.16 78.65 0.2 Allowed Pre-proline 0 C--N 1.367 1.34 0 C-N-CA 127.601 2.361 . . . . 0.0 110.314 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.97 149.76 9.58 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.402 2.735 . . . . 0.0 113.026 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -82.15 -16.67 49.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.213 1.805 . . . . 0.0 114.015 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 69.36 -48.3 0.6 Allowed 'General case' 0 C--N 1.365 1.272 0 C-N-CA 128.5 2.72 . . . . 0.0 116.862 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.422 HG11 HE21 ' A' ' 117' ' ' GLN . 7.8 p -149.21 158.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -90.89 68.69 6.33 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 119.28 -2.137 . . . . 0.0 111.482 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.422 HE21 HG11 ' A' ' 115' ' ' VAL . 34.8 mt-30 -134.51 46.7 2.45 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.462 1.505 . . . . 0.0 108.252 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -103.95 -24.03 7.88 Favored Glycine 0 C--N 1.361 1.967 0 C-N-CA 125.968 1.746 . . . . 0.0 112.191 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.3 pm0 -89.22 165.43 14.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 129.703 3.201 . . . . 0.0 112.871 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.72 134.76 47.81 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.719 -1.238 . . . . 0.0 109.236 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -133.59 150.37 51.63 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.7 t60 71.18 -43.77 0.57 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.386 2.275 . . . . 0.0 116.489 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.29 53.68 0.05 Allowed 'General case' 0 C--N 1.359 1.0 0 C-N-CA 130.194 3.397 . . . . 0.0 116.622 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.7 64.0 5.32 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.669 2.387 . . . . 0.0 112.768 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -105.22 -39.27 6.25 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.562 2.345 . . . . 0.0 110.611 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -99.0 20.23 13.66 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.344 1.857 . . . . 0.0 112.705 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.42 156.31 31.97 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.42 174.44 14.37 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -130.04 155.54 80.53 Favored Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 124.262 1.025 . . . . 0.0 109.006 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -77.74 130.04 10.36 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 124.533 3.488 . . . . 0.0 112.036 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -144.63 109.07 4.86 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . 0.259 75.7 mtp180 74.07 -51.36 0.69 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.255 2.222 . . . . 0.0 115.052 -178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--N 1.355 0.834 0 C-N-CA 127.251 2.221 . . . . 0.0 107.26 177.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.311 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -106.87 110.31 63.57 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 126.773 2.029 . . . . 0.0 108.661 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -62.45 -52.9 2.16 Favored 'Trans proline' 0 C--N 1.362 1.277 1 C-N-CA 125.593 4.195 . . . . 0.0 117.535 -176.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 70.99 -162.2 0.14 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 131.408 3.883 . . . . 0.0 112.902 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.14 8.77 42.58 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.724 -1.86 . . . . 0.0 109.147 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -98.23 43.99 1.05 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.369 3.467 . . . . 0.0 110.22 -176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -106.03 173.47 6.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.401 2.681 . . . . 0.0 113.626 -174.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -67.51 -25.2 65.73 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 128.112 2.565 . . . . 0.0 114.801 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.464 34.7 mtmm -70.92 -27.22 63.61 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 127.952 2.501 . . . . 0.0 116.622 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -55.59 -16.39 3.96 Favored 'General case' 0 C--N 1.37 1.497 0 C-N-CA 127.421 2.288 . . . . 0.0 115.067 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -76.32 -32.93 58.98 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.314 3.445 . . . . 0.0 113.472 170.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.57 -38.97 62.53 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 126.427 1.891 . . . . 0.0 111.465 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.255 13.1 tp10 -63.6 -46.56 85.21 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 121.719 3.97 . . . . 0.0 121.719 177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 t -67.87 -42.98 80.44 Favored 'General case' 0 N--CA 1.451 -0.375 1 C-N-CA 134.761 5.225 . . . . 0.0 117.713 -171.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.301 32.4 mmt180 8.06 -63.91 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 2 N-CA-C 122.447 4.24 . . . . 0.0 122.447 -177.754 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -136.0 5.87 3.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 110.841 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.276 1.9 mpp? -71.04 -34.53 71.35 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.712 2.805 . . . . 0.0 117.291 -173.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -66.54 -18.59 65.45 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 129.642 3.177 . . . . 0.0 115.389 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -69.21 -47.85 63.68 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.63 2.372 . . . . 0.0 115.474 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.419 0.1 OUTLIER -78.23 -26.02 47.2 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 176.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HB1' ' A' ' 70' ' ' ALA 0.386 34.1 m -68.59 -31.66 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -178.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 6.5 p -52.32 -35.33 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 126.621 1.968 . . . . 0.0 116.078 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' H ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -73.98 -33.34 63.81 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 167.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 27' ' ' VAL 0.252 4.1 mt -76.4 -39.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 127.429 2.292 . . . . 0.0 114.069 179.135 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.366 6.9 pt -53.67 -29.78 17.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.438 0 C-N-CA 125.897 1.679 . . . . 0.0 114.503 177.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.11 -21.94 66.37 Favored 'General case' 0 C--N 1.369 1.415 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 170.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 24' ' ' ILE 0.312 2.9 m -67.99 -51.16 52.21 Favored 'Isoleucine or valine' 0 C--N 1.384 2.086 0 C-N-CA 127.13 2.172 . . . . 0.0 112.043 179.405 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -51.62 30.35 Favored 'General case' 0 C--N 1.369 1.443 0 O-C-N 119.142 -2.224 . . . . 0.0 115.388 176.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -52.19 -28.49 18.47 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.7 m -76.11 -46.63 27.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 128.093 2.557 . . . . 0.0 111.742 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 16.3 m170 -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.171 1.388 . . . . 0.0 111.637 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -66.11 -32.47 73.94 Favored 'General case' 0 C--N 1.365 1.261 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.29 1.2 pp20? -69.45 -34.63 74.68 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.69 59.17 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.544 2.337 . . . . 0.0 117.155 164.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 100' ' ' GLN 0.42 4.7 t -57.07 -28.25 62.43 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 131.435 3.894 . . . . 0.0 116.949 -176.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -51.99 -13.49 0.3 Allowed 'General case' 0 C--N 1.364 1.211 0 C-N-CA 130.894 3.678 . . . . 0.0 115.563 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -124.57 -47.34 1.84 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 129.044 2.937 . . . . 0.0 114.666 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.426 HD21 ' HE3' ' A' ' 114' ' ' LYS . 7.4 m-80 -106.02 94.85 5.39 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -27.61 -47.71 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.633 2 C-N-CA 135.434 5.494 . . . . 0.0 121.964 -162.113 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.84 85.61 1.24 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 129.519 3.127 . . . . 0.0 103.11 169.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.351 3.2 pp -66.84 -12.99 61.05 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -171.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.545 HE21 ' CG ' ' A' ' 45' ' ' MET 0.277 0.0 OUTLIER -101.43 36.3 0.04 OUTLIER Pre-proline 0 CA--C 1.539 0.548 2 CA-C-O 109.28 -5.152 . . . . 0.0 112.785 170.499 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -39.81 -23.81 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.193 2 CA-C-N 134.936 6.37 . . . . 0.0 122.168 -143.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -157.22 137.29 12.61 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.569 ' SD ' HG11 ' A' ' 81' ' ' VAL . 8.3 mtp -122.9 135.56 25.94 Favored Pre-proline 0 C--N 1.358 0.976 0 C-N-CA 130.273 3.429 . . . . 0.0 110.385 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 168.54 24.5 Favored 'Trans proline' 0 CA--C 1.555 1.54 0 CA-C-N 127.904 3.859 . . . . 0.0 112.833 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.321 2.3 mt -55.0 -47.96 97.2 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 126.398 1.879 . . . . 0.0 111.921 173.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HB3' ' HG2' ' A' ' 51' ' ' ARG 0.801 3.2 Cg_exo -50.26 -13.5 0.71 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 127.523 5.482 . . . . 0.0 120.768 155.83 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' CE1' ' HE1' ' A' ' 31' ' ' HIS 0.303 1.0 OUTLIER -51.93 -38.28 55.82 Favored 'General case' 0 N--CA 1.516 2.838 1 CA-C-N 128.427 5.103 . . . . 0.0 112.178 -178.104 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.324 35.5 t -67.55 -32.99 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.36 0 CA-C-N 111.227 -2.715 . . . . 0.0 111.916 174.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' HB3' ' A' ' 48' ' ' PRO 0.312 0.0 OUTLIER -54.65 -30.79 56.17 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 162.804 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -72.52 -15.21 61.78 Favored 'General case' 0 C--N 1.376 1.737 0 O-C-N 120.442 -1.411 . . . . 0.0 113.891 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -92.82 -46.23 7.63 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -65.83 -26.46 67.68 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 124.361 1.064 . . . . 0.0 112.834 -158.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 63' ' ' MET . 0.0 OUTLIER -150.09 156.01 7.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 102.226 -3.25 . . . . 0.0 102.226 167.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -91.37 -43.62 0.38 Allowed Pre-proline 0 CA--C 1.551 1.014 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 172.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.85 -132.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.059 3.173 . . . . 0.0 113.274 -165.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -72.03 -26.72 62.31 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.846 2.858 . . . . 0.0 113.704 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -85.91 2.25 46.78 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 127.602 2.361 . . . . 0.0 112.488 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 54' ' ' LEU 0.3 0.0 OUTLIER -46.54 -44.02 17.5 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.474 2.709 . . . . 0.0 116.659 177.002 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.887 0.8 OUTLIER -70.78 -24.79 62.65 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 168.927 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -52.55 -30.68 31.93 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.545 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.411 54.4 mtm -109.41 7.37 24.94 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.287 -1.508 . . . . 0.0 111.742 172.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 20.0 tttt -71.75 -34.29 69.37 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 124.466 1.106 . . . . 0.0 109.356 166.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.77 -48.65 79.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 128.403 2.681 . . . . 0.0 115.505 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.291 5.9 p -76.05 -32.22 22.83 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 126.289 1.836 . . . . 0.0 111.14 172.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 52.0 t-105 -58.84 -35.82 73.55 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 125.79 1.636 . . . . 0.0 113.575 172.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -54.92 -41.16 70.67 Favored 'General case' 0 C--N 1.367 1.338 0 C-N-CA 126.281 1.833 . . . . 0.0 114.022 172.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -77.24 -47.63 19.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.623 2.769 . . . . 0.0 113.358 168.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' TRP 0.251 . . -56.91 -31.29 64.76 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.169 2.588 . . . . 0.0 116.338 175.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 67' ' ' TRP . 12.3 t -54.39 -36.65 34.75 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 130.455 3.502 . . . . 0.0 112.597 168.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.04 -40.97 82.74 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 127.825 2.45 . . . . 0.0 113.032 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.94 -54.95 26.6 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 127.532 2.333 . . . . 0.0 111.447 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.45 -38.19 58.68 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.636 1.974 . . . . 0.0 115.647 176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.76 -12.68 61.07 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.11 -6.54 55.32 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.0 -1.687 . . . . 0.0 113.414 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 10.09 9.58 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.719 1.208 . . . . 0.0 111.344 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 53.1 mt-10 79.19 136.4 0.06 Allowed 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.934 2.494 . . . . 0.0 115.112 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 p -109.51 134.13 52.26 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 126.477 1.911 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -85.54 34.36 0.58 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.486 1.914 . . . . 0.0 114.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.641 ' HA ' ' HB3' ' A' ' 98' ' ' TRP . 7.1 m -158.48 150.92 7.46 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 170.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -120.55 148.66 43.57 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.003 -1.685 . . . . 0.0 112.652 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -88.95 110.35 21.03 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 127.087 2.155 . . . . 0.0 113.074 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -115.25 149.51 37.64 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.813 1.245 . . . . 0.0 108.822 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 m -94.02 111.17 22.85 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -144.31 148.39 34.73 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.83 -1.168 . . . . 0.0 108.255 -171.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -74.43 114.42 12.8 Favored 'General case' 0 C--N 1.362 1.119 0 O-C-N 120.155 -1.591 . . . . 0.0 114.589 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.72 104.99 16.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.206 0 C-N-CA 125.41 1.484 . . . . 0.0 107.114 -176.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.43 25.18 75.73 Favored Glycine 0 N--CA 1.504 3.176 0 O-C-N 120.908 -1.12 . . . . 0.0 114.927 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.05 10.79 59.43 Favored Glycine 0 C--N 1.354 1.557 0 C-N-CA 124.904 1.24 . . . . 0.0 115.929 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.02 137.01 37.44 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 121.425 2.613 . . . . 0.0 107.305 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -81.74 109.43 16.13 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 126.099 1.76 . . . . 0.0 112.468 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -120.34 168.85 10.85 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.926 -1.109 . . . . 0.0 109.775 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mp -91.41 110.61 21.91 Favored 'General case' 0 C--N 1.364 1.229 0 N-CA-C 105.38 -2.081 . . . . 0.0 105.38 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.3 p -121.26 148.94 24.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 104.249 -2.5 . . . . 0.0 104.249 -170.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -101.82 128.9 47.98 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 117.695 -1.602 . . . . 0.0 107.223 177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -140.76 158.41 44.0 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.302 -3.222 . . . . 0.0 102.302 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' VAL 0.938 0.0 OUTLIER -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.35 0.59 1 N-CA-C 127.663 6.171 . . . . 0.0 127.663 -175.85 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.38 105.25 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 C-N-CA 126.963 2.105 . . . . 0.0 111.312 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 1.6 mm-40 -112.35 114.56 50.48 Favored Pre-proline 0 C--N 1.359 0.981 0 O-C-N 118.431 -2.668 . . . . 0.0 108.413 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -74.37 165.26 32.2 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 125.024 3.816 . . . . 0.0 114.912 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -44.63 40.99 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.715 1 C-N-CA 133.253 4.621 . . . . 0.0 120.856 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.14 57.37 0.65 Allowed 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.51 2.724 . . . . 0.0 115.409 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 t -96.8 -6.98 34.82 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 129.622 3.169 . . . . 0.0 111.606 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 14.9 t -111.59 -29.1 7.87 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 126.24 1.816 . . . . 0.0 109.597 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -123.95 55.05 1.29 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.572 1.949 . . . . 0.0 107.047 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 170.48 16.41 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.519 3.127 . . . . 0.0 113.871 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.6 tp -73.94 -40.14 52.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 126.729 2.012 . . . . 0.0 114.49 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.367 0.0 OUTLIER 159.42 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 129.883 3.273 . . . . 0.0 110.425 178.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.352 71.3 t 91.3 107.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.343 0 C-N-CA 129.451 3.1 . . . . 0.0 109.69 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 80.4 mt -85.2 138.57 36.62 Favored Pre-proline 0 C--N 1.362 1.123 0 C-N-CA 126.947 2.099 . . . . 0.0 109.395 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -74.82 171.76 17.62 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 124.28 3.32 . . . . 0.0 112.38 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.328 82.6 p 95.48 11.19 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.883 2.473 . . . . 0.0 113.419 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 38' ' ' ASN . 35.4 mmtm -72.4 70.08 0.86 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 127.447 2.299 . . . . 0.0 113.954 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.478 19.7 m 72.73 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.467 1 C-N-CA 134.629 5.172 . . . . 0.0 113.686 -173.811 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -117.09 -36.09 3.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.548 -1.97 . . . . 0.0 110.286 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.313 0.0 OUTLIER 98.55 142.71 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 128.463 2.705 . . . . 0.0 107.845 -176.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.36 52.39 3.78 Favored Glycine 0 C--N 1.358 1.766 0 C-N-CA 125.731 1.634 . . . . 0.0 112.033 -172.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -153.67 132.23 12.17 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.703 -0.881 . . . . 0.0 112.073 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.36 -2.62 56.25 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.631 1.972 . . . . 0.0 112.588 176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -114.86 110.76 20.17 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 129.002 2.921 . . . . 0.0 104.406 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -100.22 165.17 11.62 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 122.773 1.273 . . . . 0.0 113.585 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.4 mp -134.34 177.02 8.08 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 102.378 -3.194 . . . . 0.0 102.378 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -86.53 146.05 26.53 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-N 120.529 1.513 . . . . 0.0 111.019 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -90.94 65.1 5.6 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -115.76 113.65 23.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.137 1.775 . . . . 0.0 107.804 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.72 130.2 37.79 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -92.47 120.61 33.12 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 124.079 0.952 . . . . 0.0 112.255 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -96.6 126.2 44.22 Favored Pre-proline 0 C--N 1.355 0.83 0 C-N-CA 125.627 1.571 . . . . 0.0 111.706 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.02 3.88 7.5 Favored 'Trans proline' 0 CA--C 1.55 1.314 0 C-N-CA 124.692 3.595 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -124.49 42.22 3.31 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.908 2.483 . . . . 0.0 107.934 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -83.83 105.83 15.04 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.599 1.96 . . . . 0.0 113.101 -177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.353 0.733 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 179.604 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.153 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -174.14 147.64 1.27 Allowed Pre-proline 0 C--N 1.351 0.639 0 C-N-CA 126.333 1.853 . . . . 0.0 106.281 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -83.8 178.99 5.08 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.44 3.426 . . . . 0.0 113.867 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 5' ' ' PHE . 4.7 pt-20 -155.5 -79.69 0.09 Allowed 'General case' 0 C--N 1.361 1.105 0 C-N-CA 124.541 1.137 . . . . 0.0 111.956 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.414 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 76.3 m-85 67.06 76.53 0.29 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 129.899 3.28 . . . . 0.0 115.7 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.9 ptt85 -120.07 0.09 10.66 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.815 1.646 . . . . 0.0 113.457 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -128.17 167.88 16.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.334 2.654 . . . . 0.0 106.812 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 p -102.61 -63.02 1.2 Allowed 'General case' 0 C--N 1.368 1.378 1 N-CA-C 121.91 4.041 . . . . 0.0 121.91 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -73.26 -30.17 63.26 Favored 'General case' 0 CA--C 1.473 -1.997 0 N-CA-C 119.112 3.005 . . . . 0.0 119.112 -175.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.496 10.0 mt-10 -61.3 -12.75 14.81 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.59 -29.07 70.37 Favored 'General case' 0 C--N 1.376 1.753 1 C-N-CA 133.679 4.792 . . . . 0.0 113.333 169.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.03 -45.06 44.28 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.416 1.886 . . . . 0.0 113.054 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.73 -46.69 88.55 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 130.971 3.708 . . . . 0.0 119.492 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.584 ' HB ' ' CD1' ' A' ' 73' ' ' PHE . 15.3 t -63.1 -29.38 70.76 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 133.763 4.825 . . . . 0.0 114.534 -176.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -79.92 145.46 32.64 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.602 1.561 . . . . 0.0 115.197 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.322 64.3 mm-40 82.46 -27.95 0.11 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 129.38 3.072 . . . . 0.0 113.693 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HB2' HH12 ' A' ' 69' ' ' ARG . 4.3 tmm? -49.87 -35.19 22.46 Favored 'General case' 0 C--N 1.366 1.302 1 C-N-CA 135.437 5.495 . . . . 0.0 113.861 174.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -53.41 -16.65 1.49 Allowed 'General case' 0 C--N 1.366 1.316 1 C-N-CA 133.137 4.575 . . . . 0.0 116.995 173.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.97 -64.95 1.0 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 125.405 1.482 . . . . 0.0 108.932 171.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -37.81 68.84 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.303 3.441 . . . . 0.0 118.272 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.489 4.2 m -73.7 -30.8 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.628 -1.295 . . . . 0.0 113.843 175.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.07 -36.69 20.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 C-N-CA 125.96 1.704 . . . . 0.0 115.551 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -31.92 62.56 Favored 'General case' 0 C--N 1.369 1.437 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 167.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.577 ' O ' HG12 ' A' ' 27' ' ' VAL 0.342 4.9 mt -77.0 -36.65 25.3 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.946 1.698 . . . . 0.0 114.117 174.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 74' ' ' LEU 0.325 4.3 pt -53.52 -30.12 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 118.664 -2.523 . . . . 0.0 115.874 179.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -71.41 -24.69 62.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.939 1.696 . . . . 0.0 114.813 171.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 24' ' ' ILE 0.311 0.3 OUTLIER -63.68 -47.98 88.71 Favored 'Isoleucine or valine' 0 C--N 1.377 1.781 0 C-N-CA 130.609 3.563 . . . . 0.0 113.517 -177.641 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.5 -52.17 19.78 Favored 'General case' 0 C--N 1.369 1.42 0 O-C-N 118.896 -2.378 . . . . 0.0 115.845 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -55.23 -28.36 52.62 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -69.54 -45.26 69.2 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 131.531 3.933 . . . . 0.0 111.531 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' HE1' ' CD1' ' A' ' 98' ' ' TRP . 8.4 p80 -71.92 -35.22 69.6 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 123.425 0.69 . . . . 0.0 109.991 168.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 6.9 m-80 -66.95 -48.3 68.98 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.75 -34.52 69.63 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 126.608 1.963 . . . . 0.0 113.512 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.21 60.84 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.719 3.208 . . . . 0.0 117.615 163.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 32' ' ' ASN 0.36 0.5 OUTLIER -72.73 -30.85 64.51 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.113 -2.242 . . . . 0.0 115.927 -174.843 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -63.23 -12.36 28.0 Favored 'General case' 0 C--N 1.371 1.513 1 C-N-CA 131.927 4.091 . . . . 0.0 114.344 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 -12.07 14.28 Favored 'General case' 0 CA--C 1.533 0.305 1 C-N-CA 132.291 4.237 . . . . 0.0 112.866 -179.067 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -131.34 -177.8 4.56 Favored 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 127.04 2.136 . . . . 0.0 106.797 -167.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 N-CA-C 121.885 4.031 . . . . 0.0 121.885 -176.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 100' ' ' GLN . 1.5 m-20 -14.31 105.59 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 1 O-C-N 116.089 -4.132 . . . . 0.0 120.25 -102.352 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.0 pp -43.46 -3.67 0.0 OUTLIER 'General case' 0 C--N 1.387 2.209 1 C-N-CA 134.939 5.295 . . . . 0.0 120.725 -171.141 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 HE21 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -89.76 34.84 0.0 OUTLIER Pre-proline 0 N--CA 1.435 -1.214 1 C-N-CA 134.55 5.14 . . . . 0.0 115.734 176.111 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -44.59 -29.03 3.05 Favored 'Trans proline' 0 C--N 1.389 2.661 2 CA-C-N 132.353 5.447 . . . . 0.0 118.422 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -169.31 157.54 7.57 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.827 3.651 . . . . 0.0 108.112 172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 10.9 mtm -153.96 148.89 19.87 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 130.408 3.483 . . . . 0.0 104.739 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -79.32 165.85 22.99 Favored 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 124.386 3.391 . . . . 0.0 112.128 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.315 40.1 mt -58.74 -52.14 76.86 Favored Pre-proline 0 C--N 1.375 1.696 0 C-N-CA 126.983 2.113 . . . . 0.0 112.415 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.65 2.9 Cg_endo -52.41 -16.31 4.97 Favored 'Trans proline' 0 CA--C 1.551 1.351 1 C-N-CA 127.513 5.475 . . . . 0.0 120.296 159.119 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' CD2' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -55.29 -46.62 76.19 Favored 'General case' 0 N--CA 1.516 2.872 1 CA-C-N 126.865 4.393 . . . . 0.0 111.605 176.475 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' HB ' HG11 ' A' ' 27' ' ' VAL 0.368 0.8 OUTLIER -63.51 -33.11 59.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 126.336 1.854 . . . . 0.0 111.072 175.806 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.624 ' O ' HD22 ' A' ' 54' ' ' LEU 0.328 0.0 OUTLIER -69.16 -29.54 67.57 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 162.964 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.6 -14.6 2.22 Favored 'General case' 0 N--CA 1.491 1.582 1 O-C-N 115.679 -4.388 . . . . 0.0 115.766 175.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -92.67 -25.99 18.01 Favored 'General case' 0 N--CA 1.441 -0.894 1 C-N-CA 134.38 5.072 . . . . 0.0 119.977 169.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD22 ' O ' ' A' ' 51' ' ' ARG 0.481 0.0 OUTLIER -69.44 -29.84 67.63 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 122.196 2.271 . . . . 0.0 111.071 -166.409 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.494 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -153.99 149.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 100.612 -3.847 . . . . 0.0 100.612 170.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.8 -36.34 0.38 Allowed Pre-proline 0 CA--C 1.554 1.108 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 174.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 12.1 Cg_endo -88.91 -132.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 126.072 3.204 . . . . 0.0 112.773 -168.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 95.2 m-70 -72.4 -26.96 62.07 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.53 2.732 . . . . 0.0 113.742 177.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -86.4 4.32 39.95 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.667 2.387 . . . . 0.0 112.894 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.636 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.93 -47.79 16.33 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 129.191 2.996 . . . . 0.0 116.121 178.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.636 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.747 2.1 tmtm? -70.08 -24.4 63.22 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.663 2.385 . . . . 0.0 117.205 172.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 tmmt? -54.94 -22.67 15.79 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.594 2.813 . . . . 0.0 118.594 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.271 55.6 mtm -113.57 6.94 17.23 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.603 -1.311 . . . . 0.0 110.74 169.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.556 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 11.6 tttp -72.09 -37.09 69.64 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.478 1.511 . . . . 0.0 111.441 170.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -58.83 -41.9 87.99 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 125.858 1.663 . . . . 0.0 114.574 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.337 2.9 p -76.33 -32.05 21.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.777 0 C-N-CA 126.262 1.825 . . . . 0.0 111.719 170.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -57.91 -36.97 73.21 Favored 'General case' 0 C--N 1.37 1.492 0 O-C-N 119.639 -1.913 . . . . 0.0 113.742 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.45 -35.3 69.94 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.624 2.37 . . . . 0.0 113.879 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 HH12 ' HB2' ' A' ' 17' ' ' MET . 5.8 tmm_? -78.05 -54.55 6.15 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.757 2.423 . . . . 0.0 113.517 165.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -32.97 67.95 Favored 'General case' 0 C--N 1.375 1.693 0 C-N-CA 128.897 2.879 . . . . 0.0 117.1 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.33 -31.86 39.41 Favored 'Isoleucine or valine' 0 C--N 1.368 1.376 0 C-N-CA 129.509 3.124 . . . . 0.0 113.947 169.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.49 -48.56 72.18 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.538 2.335 . . . . 0.0 112.483 174.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' ' HB ' ' A' ' 14' ' ' THR 0.384 4.5 t80 -67.1 -45.72 76.35 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 121.548 1.976 . . . . 0.0 114.102 167.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD11 HG22 ' A' ' 25' ' ' ILE . 3.2 tt -51.77 -42.05 62.1 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 119.919 -1.738 . . . . 0.0 115.474 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.93 -12.65 19.2 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.86 -19.53 18.79 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.209 2.603 . . . . 0.0 111.823 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -97.44 -56.04 2.65 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 128.469 2.708 . . . . 0.0 111.455 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -129.63 71.83 1.45 Allowed 'General case' 0 C--N 1.361 1.075 0 C-N-CA 124.371 1.068 . . . . 0.0 108.578 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.23 64.83 3.45 Favored 'General case' 0 C--N 1.363 1.172 0 O-C-N 120.308 -1.495 . . . . 0.0 113.758 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' O ' ' CZ3' ' A' ' 98' ' ' TRP . 98.4 mtt180 -87.56 -83.67 0.2 Allowed 'General case' 0 C--N 1.358 0.938 0 C-N-CA 127.142 2.177 . . . . 0.0 111.881 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG21 HE21 ' A' ' 42' ' ' GLN 0.389 5.7 t -66.55 135.52 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 122.806 2.548 . . . . 0.0 115.876 -172.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -98.54 140.25 33.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 125.158 1.383 . . . . 0.0 111.82 -172.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -96.7 124.22 40.62 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 127.352 2.261 . . . . 0.0 112.21 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -127.49 152.13 47.97 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.021 -1.049 . . . . 0.0 108.671 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 m -97.2 111.54 23.74 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -146.52 144.62 29.74 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.675 -1.265 . . . . 0.0 107.764 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -86.55 121.58 29.29 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.418 2.287 . . . . 0.0 115.093 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.21 122.47 36.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 125.209 1.404 . . . . 0.0 108.116 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.71 21.49 76.46 Favored Glycine 0 N--CA 1.5 2.934 0 C-N-CA 124.738 1.161 . . . . 0.0 113.901 -177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.46 13.26 68.26 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.305 1.431 . . . . 0.0 115.206 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.0 135.62 32.9 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 120.748 2.274 . . . . 0.0 109.192 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -97.06 122.97 40.65 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 127.918 2.487 . . . . 0.0 113.854 -176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.61 176.6 7.86 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.85 110.13 21.58 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 173.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.24 147.75 19.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' HB3' HG11 ' A' ' 81' ' ' VAL 0.284 6.8 m0 -101.71 129.76 47.94 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -176.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -135.85 157.05 47.8 Favored 'General case' 0 C--N 1.368 1.399 0 O-C-N 119.169 -2.207 . . . . 0.0 108.042 -177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 31' ' ' HIS 0.294 2.3 t-105 -121.8 144.05 49.04 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 -174.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.8 105.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.172 0 C-N-CA 129.583 3.153 . . . . 0.0 109.747 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' H ' ' CG ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -109.71 101.11 45.39 Favored Pre-proline 0 C--N 1.363 1.187 0 C-N-CA 126.442 1.897 . . . . 0.0 109.66 178.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -67.27 130.13 21.91 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 125.233 3.955 . . . . 0.0 114.279 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.26 5.6 t 101.49 -179.12 0.0 OUTLIER 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.911 2.484 . . . . 0.0 111.937 177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.04 69.07 1.43 Allowed 'General case' 0 C--N 1.35 0.617 0 N-CA-C 103.498 -2.779 . . . . 0.0 103.498 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.28 75.7 m 65.98 -134.11 0.19 Allowed 'General case' 0 C--N 1.368 1.393 0 C-N-CA 127.557 2.343 . . . . 0.0 112.317 -170.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.2 p -151.59 -69.69 0.17 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -115.94 81.24 1.57 Allowed 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 175.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -88.52 -35.05 17.19 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 125.657 1.583 . . . . 0.0 111.815 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.485 6.1 tt 68.92 -71.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.224 0 C-N-CA 130.582 3.553 . . . . 0.0 114.828 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.8 tp -170.54 126.79 0.77 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 p -103.04 91.09 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 CA-C-O 123.461 1.601 . . . . 0.0 110.387 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.14 106.82 44.0 Favored Pre-proline 0 C--N 1.352 0.713 0 C-N-CA 127.434 2.294 . . . . 0.0 108.2 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.29 51.27 3.84 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 124.42 3.413 . . . . 0.0 113.976 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 p -107.15 87.71 2.57 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.857 2.463 . . . . 0.0 109.253 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.254 39.4 ttmt 100.21 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 128.958 2.903 . . . . 0.0 109.023 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.1 m -95.0 64.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.932 0 C-N-CA 128.11 2.564 . . . . 0.0 108.486 175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -64.11 76.14 0.04 OUTLIER 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.404 2.682 . . . . 0.0 114.691 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 73.07 -49.39 0.7 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 130.129 3.372 . . . . 0.0 114.618 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.78 34.95 33.05 Favored Glycine 0 C--N 1.36 1.89 0 C-N-CA 127.589 2.519 . . . . 0.0 114.702 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -85.16 59.37 5.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 114.514 -174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.25 -165.9 1.56 Allowed 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.646 1.178 . . . . 0.0 108.841 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -152.94 -175.52 5.36 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.424 1.49 . . . . 0.0 107.95 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.405 ' CG ' ' H ' ' A' ' 123' ' ' LEU . 44.4 t60 -153.77 -174.69 5.05 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' H ' ' CG ' ' A' ' 122' ' ' HIS . 2.0 pt? -147.24 -169.18 3.24 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 108.862 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -132.58 151.7 51.85 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 125.391 1.476 . . . . 0.0 107.321 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -84.36 63.59 7.87 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.218 1.807 . . . . 0.0 112.967 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -75.78 61.15 1.38 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.178 2.191 . . . . 0.0 114.536 -176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.03 53.68 2.52 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 127.893 2.477 . . . . 0.0 114.178 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.86 -3.26 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.973 2.109 . . . . 0.0 109.924 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -115.33 131.64 23.49 Favored Pre-proline 0 C--N 1.354 0.789 0 C-N-CA 127.906 2.483 . . . . 0.0 107.818 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -77.36 69.5 7.16 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.672 2.914 . . . . 0.0 113.436 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -87.57 -25.16 23.75 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.405 1.482 . . . . 0.0 111.788 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 71.38 -59.92 0.53 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.052 2.941 . . . . 0.0 115.479 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.35 0.625 0 C-N-CA 125.728 1.611 . . . . 0.0 108.358 -178.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.23 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -173.5 155.37 2.63 Favored Pre-proline 0 C--N 1.349 0.55 0 C-N-CA 126.881 2.072 . . . . 0.0 105.764 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -80.76 -177.69 3.91 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.406 3.404 . . . . 0.0 114.711 -175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -110.82 153.91 24.72 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.183 1.393 . . . . 0.0 110.082 177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -120.83 41.58 3.25 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.753 1.221 . . . . 0.0 110.672 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -84.59 31.99 0.52 Allowed 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.505 2.322 . . . . 0.0 112.236 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.05 173.99 6.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 130.43 3.492 . . . . 0.0 112.815 -174.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -75.24 -13.57 60.45 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.728 -1.857 . . . . 0.0 114.002 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.559 84.5 mttt -63.54 -25.68 68.36 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.42 2.288 . . . . 0.0 115.583 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.41 -16.45 3.66 Favored 'General case' 0 C--N 1.369 1.426 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 167.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -69.62 -27.85 65.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 130.364 3.466 . . . . 0.0 111.743 167.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.67 -42.33 74.95 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.287 1.835 . . . . 0.0 113.343 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -61.86 -28.04 69.21 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 128.338 2.655 . . . . 0.0 117.11 169.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 p -79.62 -52.79 7.53 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.581 2.753 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.25 3.0 tpm_? 83.98 8.81 0.54 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 130.287 3.435 . . . . 0.0 112.633 -172.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.252 14.4 tt0 87.37 85.96 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 129.641 3.176 . . . . 0.0 109.466 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 ptp -71.25 -36.11 71.65 Favored 'General case' 0 C--N 1.35 0.621 1 N-CA-C 123.502 4.631 . . . . 0.0 123.502 -171.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -69.64 -24.65 63.66 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 121.284 3.809 . . . . 0.0 121.284 -164.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -91.72 -97.09 0.12 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.688 0.0 OUTLIER -55.97 -24.93 41.5 Favored 'General case' 0 C--N 1.364 1.218 0 N-CA-C 120.583 3.549 . . . . 0.0 120.583 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.27 2.0 m -68.75 -31.73 52.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.248 -1.533 . . . . 0.0 114.835 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.2 t -52.42 -36.08 21.16 Favored 'Isoleucine or valine' 0 C--N 1.372 1.585 0 C-N-CA 128.629 2.772 . . . . 0.0 114.616 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.11 -29.66 61.95 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 125.952 1.701 . . . . 0.0 115.567 167.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . 0.258 8.9 mt -77.23 -39.86 29.0 Favored 'Isoleucine or valine' 0 C--N 1.366 1.283 0 C-N-CA 128.259 2.624 . . . . 0.0 113.682 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.389 12.2 pt -53.84 -29.87 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 119.003 -2.311 . . . . 0.0 114.137 177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -65.58 -35.72 81.67 Favored 'General case' 0 C--N 1.371 1.507 0 C-N-CA 128.299 2.64 . . . . 0.0 115.054 168.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 53' ' ' SER 0.315 5.0 m -64.7 -47.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 121.476 1.944 . . . . 0.0 111.109 175.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.52 -52.49 45.31 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.408 1.483 . . . . 0.0 113.92 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 67.9 ttt-85 -56.38 -28.39 59.05 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-N 122.705 2.502 . . . . 0.0 117.703 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -76.81 -52.08 10.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 130.69 3.596 . . . . 0.0 111.565 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -65.9 -31.51 72.49 Favored 'General case' 0 C--N 1.365 1.244 0 C-N-CA 126.176 1.79 . . . . 0.0 112.145 171.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' CYS 0.332 18.7 m-80 -74.1 -35.36 64.17 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 175.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.78 -33.64 68.77 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 118.122 -2.861 . . . . 0.0 113.736 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.94 -24.93 61.7 Favored 'General case' 0 C--N 1.352 0.683 1 C-N-CA 132.138 4.175 . . . . 0.0 113.315 172.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -61.28 -44.31 97.43 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 128.718 2.807 . . . . 0.0 116.759 -177.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -62.48 -11.72 17.8 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 128.417 2.687 . . . . 0.0 114.673 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.89 -18.9 15.5 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.606 1.562 . . . . 0.0 110.526 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -125.53 177.38 6.24 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 120.658 -1.276 . . . . 0.0 108.797 -168.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -61.99 1.61 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-O 122.484 1.135 . . . . 0.0 110.516 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.325 1.0 OUTLIER -151.05 86.74 1.37 Allowed 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 126.585 1.954 . . . . 0.0 106.679 170.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 175.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.49 1.3 pt20 -100.59 38.56 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.006 1 C-N-CA 134.025 4.93 . . . . 0.0 111.608 173.303 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -44.27 -32.14 4.88 Favored 'Trans proline' 0 C--N 1.409 3.731 1 C-N-CA 130.603 7.536 . . . . 0.0 115.464 -160.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -160.83 150.17 17.03 Favored 'General case' 0 N--CA 1.442 -0.873 1 C-N-CA 132.342 4.257 . . . . 0.0 103.37 173.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mtp -146.63 135.17 10.95 Favored Pre-proline 0 CA--C 1.558 1.264 0 CA-C-O 114.678 -2.582 . . . . 0.0 106.21 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.56 174.52 12.07 Favored 'Trans proline' 0 N--CA 1.489 1.217 1 CA-C-N 131.34 5.086 . . . . 0.0 111.874 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.369 1.6 mt -56.79 -51.51 80.86 Favored Pre-proline 0 N--CA 1.494 1.765 0 C-N-CA 125.973 1.709 . . . . 0.0 110.939 176.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.936 4.1 Cg_endo -49.54 -14.65 0.7 Allowed 'Trans proline' 0 N--CA 1.444 -1.409 1 C-N-CA 126.205 4.604 . . . . 0.0 119.975 157.81 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -61.18 -48.24 82.46 Favored 'General case' 0 N--CA 1.509 2.505 2 CA-C-N 130.307 5.958 . . . . 0.0 110.681 169.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.273 2.2 t -76.32 -33.61 23.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.266 171.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.36 9.3 mtm-85 -71.54 -30.7 66.19 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-N 121.641 2.019 . . . . 0.0 115.128 170.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.76 -31.21 56.91 Favored 'General case' 0 C--N 1.359 0.983 1 O-C-N 116.21 -4.056 . . . . 0.0 111.375 169.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.502 ' HB3' HG11 ' A' ' 27' ' ' VAL . 17.3 m -57.12 -17.15 9.53 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 120.56 3.541 . . . . 0.0 120.56 -174.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -24.31 64.08 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.872 2.069 . . . . 0.0 111.115 174.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.5 mp -156.44 126.29 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.717 1.607 . . . . 0.0 111.545 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -47.28 12.82 Favored Pre-proline 0 CA--C 1.572 1.825 1 N-CA-C 122.204 4.15 . . . . 0.0 122.204 178.559 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 21.0 Cg_endo -84.86 -126.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.55 1.322 0 C-N-CA 125.282 3.988 . . . . 0.0 116.385 -169.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 25.0 m80 -76.46 -27.64 56.24 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 129.531 3.132 . . . . 0.0 116.001 -177.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -91.27 8.01 38.05 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.207 3.403 . . . . 0.0 110.891 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -45.59 -51.24 12.33 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 130.392 3.477 . . . . 0.0 116.043 -174.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.611 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.67 8.2 tmtt? -70.43 -24.64 62.94 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 128.162 2.585 . . . . 0.0 117.174 173.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.251 4.9 tmmm? -54.67 -18.6 4.76 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 119.898 3.296 . . . . 0.0 119.898 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 mtm -114.43 6.43 15.96 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.8 -1.812 . . . . 0.0 109.844 166.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 7.2 tttt -71.9 -35.51 69.73 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 121.072 1.76 . . . . 0.0 110.399 175.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -59.21 -41.74 89.3 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 127.174 2.189 . . . . 0.0 114.795 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.376 5.9 p -76.56 -31.31 19.95 Favored 'Isoleucine or valine' 0 C--N 1.377 1.766 0 C-N-CA 126.711 2.004 . . . . 0.0 112.21 170.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 67.9 t-105 -60.35 -33.69 72.78 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 118.861 -2.399 . . . . 0.0 113.319 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -54.81 -38.4 67.31 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.821 1.648 . . . . 0.0 114.511 168.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -77.12 -47.18 21.12 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 130.198 3.399 . . . . 0.0 113.894 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -60.91 -31.12 70.63 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 129.073 2.949 . . . . 0.0 114.815 176.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 t -55.53 -33.02 31.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.767 0 C-N-CA 130.179 3.392 . . . . 0.0 112.524 167.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.3 24.7 t70 -67.55 -30.25 69.84 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 126.467 1.907 . . . . 0.0 112.901 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -75.82 -58.99 2.95 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 120.315 -1.491 . . . . 0.0 113.008 159.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.29 -37.73 78.44 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.99 -12.3 24.87 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.18 -16.86 34.1 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 125.67 1.588 . . . . 0.0 114.569 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.24 114.73 3.66 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 120.428 -1.42 . . . . 0.0 110.381 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.277 45.8 mt-10 92.78 95.36 0.02 OUTLIER 'General case' 0 C--N 1.366 1.303 0 C-N-CA 128.759 2.823 . . . . 0.0 112.917 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.2 p -100.15 54.71 0.91 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.488 2.315 . . . . 0.0 111.368 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.28 10.94 5.99 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.823 2.049 . . . . 0.0 115.633 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.25 1.4 t -155.44 136.79 5.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 102.433 -3.173 . . . . 0.0 102.433 172.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.53 154.96 27.33 Favored 'General case' 0 C--N 1.371 1.507 0 O-C-N 120.643 -1.286 . . . . 0.0 114.175 -171.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.4 m -100.87 117.63 35.33 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.28 1.832 . . . . 0.0 111.221 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.78 150.46 41.83 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.2 m -94.62 110.08 21.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -150.59 147.68 27.73 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.467 -1.396 . . . . 0.0 110.79 -169.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.82 116.75 20.96 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.976 1.71 . . . . 0.0 112.972 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.03 118.92 16.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.491 1.516 . . . . 0.0 107.127 -176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.73 22.02 76.67 Favored Glycine 0 N--CA 1.499 2.836 0 C-N-CA 125.059 1.314 . . . . 0.0 113.801 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.02 11.01 74.07 Favored Glycine 0 C--N 1.357 1.709 0 C-N-CA 125.432 1.492 . . . . 0.0 115.303 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.49 139.94 45.83 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 120.458 2.129 . . . . 0.0 110.477 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -94.75 110.06 21.95 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 129.933 3.293 . . . . 0.0 112.709 -176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -128.8 175.61 8.49 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.658 -1.277 . . . . 0.0 108.903 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.17 110.13 21.17 Favored 'General case' 0 C--N 1.372 1.555 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 167.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.56 141.9 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 -169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -101.58 128.65 47.75 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 103.881 -2.637 . . . . 0.0 103.881 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -144.55 170.76 15.44 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 118.448 -2.658 . . . . 0.0 108.041 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.582 0.3 OUTLIER -122.22 144.5 48.93 Favored 'General case' 0 C--N 1.372 1.563 0 N-CA-C 120.884 3.661 . . . . 0.0 120.884 176.48 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.59 111.62 36.84 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 1 C-N-CA 132.952 4.501 . . . . 0.0 102.049 -174.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -138.26 98.15 9.33 Favored Pre-proline 0 C--N 1.353 0.746 0 O-C-N 118.731 -2.48 . . . . 0.0 110.111 -170.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -70.11 162.46 42.16 Favored 'Trans proline' 0 C--N 1.367 1.515 0 C-N-CA 125.071 3.847 . . . . 0.0 116.423 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t 79.31 39.68 0.11 Allowed 'General case' 0 C--N 1.367 1.355 0 C-N-CA 127.794 2.438 . . . . 0.0 112.806 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.24 68.32 0.33 Allowed 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.099 3.359 . . . . 0.0 116.74 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 t -158.02 -82.56 0.05 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 125.045 1.338 . . . . 0.0 110.068 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.5 m 111.8 -7.65 0.01 OUTLIER 'General case' 0 C--N 1.365 1.252 0 C-N-CA 131.011 3.724 . . . . 0.0 109.089 -173.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.6 t70 70.36 -55.16 0.62 Allowed 'General case' 0 C--N 1.366 1.323 0 C-N-CA 128.562 2.745 . . . . 0.0 116.415 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -70.22 54.96 0.14 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.881 2.873 . . . . 0.0 115.962 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.327 95.9 mt 76.66 -91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.281 0 C-N-CA 129.393 3.077 . . . . 0.0 110.074 -177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 tp -175.73 104.27 0.08 Allowed 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.4 t -89.11 57.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.126 0 O-C-N 119.6 -1.937 . . . . 0.0 112.209 -174.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.0 tp -156.91 139.49 10.6 Favored Pre-proline 0 C--N 1.356 0.861 0 N-CA-C 103.107 -2.923 . . . . 0.0 103.107 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -79.83 61.55 8.23 Favored 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 124.691 3.594 . . . . 0.0 112.985 -174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -124.28 37.1 4.48 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.142 2.177 . . . . 0.0 108.214 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -102.05 -0.39 33.63 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 128.277 2.631 . . . . 0.0 111.457 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.9 p -97.13 41.02 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.991 0 C-N-CA 129.45 3.1 . . . . 0.0 111.291 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.5 -143.19 0.25 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.781 2.433 . . . . 0.0 111.066 177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -134.84 152.1 51.47 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.681 -1.887 . . . . 0.0 107.881 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.24 -53.48 0.42 Allowed Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.519 ' HG2' ' H ' ' A' ' 120' ' ' ALA . 8.6 tt0 169.29 -142.5 0.0 OUTLIER 'General case' 0 C--N 1.351 0.638 0 N-CA-C 100.202 -3.999 . . . . 0.0 100.202 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' H ' ' HG2' ' A' ' 119' ' ' GLN . . . -84.58 80.14 9.34 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 127.621 2.369 . . . . 0.0 108.09 172.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.292 17.9 t80 85.16 -55.52 0.09 Allowed 'General case' 0 C--N 1.359 1.012 0 C-N-CA 130.442 3.497 . . . . 0.0 112.157 -175.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -160.73 172.33 17.27 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.53 -157.51 0.63 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.549 2.34 . . . . 0.0 111.122 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -151.36 155.7 39.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . 0.269 50.6 ttt85 81.21 -114.55 0.02 OUTLIER 'General case' 0 C--N 1.361 1.093 0 C-N-CA 127.953 2.501 . . . . 0.0 113.206 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -172.11 155.61 3.74 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 103.372 -2.825 . . . . 0.0 103.372 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.9 mt -109.45 131.38 55.11 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.348 1.059 . . . . 0.0 110.567 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -89.86 -13.51 36.29 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 125.638 1.575 . . . . 0.0 111.833 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.485 ' H ' ' HD2' ' A' ' 129' ' ' ARG . 0.6 OUTLIER -71.64 -52.85 7.9 Favored Pre-proline 0 C--N 1.358 0.962 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -177.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.98 70.54 7.44 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.026 3.151 . . . . 0.0 113.305 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -84.08 58.3 4.67 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 112.613 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -92.94 90.07 6.81 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.972 1.709 . . . . 0.0 111.203 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.352 0.71 0 C-N-CA 124.259 1.024 . . . . 0.0 109.972 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.308 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -154.57 141.47 13.38 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 126.555 1.942 . . . . 0.0 105.899 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.87 150.49 38.93 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.827 3.685 . . . . 0.0 112.039 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 52.51 -46.76 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 131.525 3.93 . . . . 0.0 119.221 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.252 10.8 t80 75.82 47.35 0.09 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.4 3.48 . . . . 0.0 111.037 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -94.12 18.56 10.56 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 128.308 2.643 . . . . 0.0 115.785 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -35.65 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.348 0.525 1 C-N-CA 133.773 4.829 . . . . 0.0 118.871 179.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.61 -13.57 19.34 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.3 2.24 . . . . 0.0 109.92 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -52.58 -27.92 18.84 Favored 'General case' 0 C--N 1.364 1.22 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -55.67 -17.62 6.2 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.401 2.68 . . . . 0.0 115.667 171.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -68.9 -28.97 67.15 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 130.778 3.631 . . . . 0.0 112.589 168.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -62.22 -34.12 75.86 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 127.367 2.267 . . . . 0.0 112.839 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.3 -33.05 74.94 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.825 2.05 . . . . 0.0 115.642 166.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.45 -52.43 8.07 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.112 2.965 . . . . 0.0 112.818 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HB2' ' CD1' ' A' ' 73' ' ' PHE 0.302 72.6 mtt85 72.09 -112.28 0.05 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 129.392 3.077 . . . . 0.0 115.379 -176.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -119.8 59.11 0.88 Allowed 'General case' 0 C--N 1.364 1.228 0 O-C-N 120.107 -1.621 . . . . 0.0 113.955 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 16.5 ptp -69.52 -35.06 75.14 Favored 'General case' 0 C--N 1.364 1.22 0 O-C-N 119.244 -2.16 . . . . 0.0 113.542 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -52.33 -17.95 1.38 Allowed 'General case' 0 CA--C 1.541 0.624 1 C-N-CA 134.468 5.107 . . . . 0.0 117.209 -176.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.272 53.0 p30 -83.27 -98.8 0.05 OUTLIER 'General case' 0 C--N 1.369 1.446 0 C-N-CA 127.019 2.128 . . . . 0.0 113.369 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -30.06 57.73 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.969 2.107 . . . . 0.0 116.052 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.502 0.6 OUTLIER -59.68 -32.17 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 N-CA-C 118.285 2.698 . . . . 0.0 118.285 -175.512 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.22 -35.87 20.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.276 2.23 . . . . 0.0 115.579 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CE ' ' H ' ' A' ' 23' ' ' LYS 0.281 0.0 OUTLIER -74.54 -23.3 58.77 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 119.502 -1.999 . . . . 0.0 115.898 169.889 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' O ' HG22 ' A' ' 27' ' ' VAL 0.348 0.6 OUTLIER -77.43 -38.64 26.76 Favored 'Isoleucine or valine' 0 C--N 1.371 1.508 0 O-C-N 120.026 -1.671 . . . . 0.0 115.474 175.958 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.2 pt -54.2 -30.71 20.92 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 C-N-CA 127.899 2.48 . . . . 0.0 113.724 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -62.94 -29.34 70.72 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 129.038 2.935 . . . . 0.0 115.146 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.989 HG11 ' HB3' ' A' ' 53' ' ' SER 0.323 17.8 m -73.66 -52.61 20.47 Favored 'Isoleucine or valine' 0 C--N 1.383 2.025 0 CA-C-N 121.007 1.73 . . . . 0.0 112.546 171.233 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -50.72 72.52 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.34 -28.39 28.41 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -68.9 -47.33 66.11 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 131.268 3.827 . . . . 0.0 113.057 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 35' ' ' CYS . 3.6 m170 -62.5 -37.43 85.99 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 128.545 2.738 . . . . 0.0 109.563 168.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' ND2' ' CE2' ' A' ' 98' ' ' TRP . 1.8 m-80 -73.11 -38.2 66.43 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 127.663 2.385 . . . . 0.0 115.924 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.93 -53.37 41.97 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 128.402 2.681 . . . . 0.0 113.229 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.38 -26.62 60.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 166.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.489 0.7 OUTLIER -75.29 -28.88 59.91 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.548 1.939 . . . . 0.0 114.428 -177.645 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.289 2.6 pp0? -59.22 -10.79 3.16 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 127.838 2.455 . . . . 0.0 115.234 171.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -112.75 -30.83 6.94 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 129.688 3.195 . . . . 0.0 111.491 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -109.37 -179.64 3.89 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 128.632 2.773 . . . . 0.0 107.292 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -57.78 2.91 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.999 174.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 35' ' ' CYS 0.382 1.6 p30 -154.18 87.69 1.2 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 131.272 3.829 . . . . 0.0 112.774 174.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.1 -16.27 62.01 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 125.002 3.546 . . . . 0.0 118.752 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 HE21 ' CD2' ' A' ' 31' ' ' HIS 0.288 10.3 mm-40 -99.36 39.21 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.728 1 C-N-CA 133.986 4.914 . . . . 0.0 108.828 168.512 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -41.91 -23.11 0.22 Allowed 'Trans proline' 0 C--N 1.39 2.75 1 C-N-CA 128.774 6.316 . . . . 0.0 115.227 -170.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -167.76 143.19 3.86 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 129.551 3.14 . . . . 0.0 106.009 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -147.41 144.84 20.08 Favored Pre-proline 0 C--N 1.363 1.183 0 CA-C-O 114.417 -2.706 . . . . 0.0 107.119 177.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.11 168.25 22.56 Favored 'Trans proline' 0 C--N 1.367 1.552 1 CA-C-N 131.582 5.172 . . . . 0.0 111.747 173.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.353 1.2 mt -57.52 -52.04 77.22 Favored Pre-proline 0 C--N 1.377 1.772 0 CA-C-N 121.33 1.877 . . . . 0.0 111.448 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.915 4.1 Cg_endo -49.89 -14.53 0.85 Allowed 'Trans proline' 0 N--CA 1.438 -1.741 1 C-N-CA 126.432 4.754 . . . . 0.0 119.991 156.827 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.259 14.1 t-80 -56.68 -48.74 76.96 Favored 'General case' 0 N--CA 1.516 2.827 2 CA-C-N 131.073 6.306 . . . . 0.0 111.215 173.377 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 96' ' ' TRP 0.362 0.4 OUTLIER -77.14 -43.27 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 126.454 1.901 . . . . 0.0 111.068 171.12 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . 0.359 7.7 mtt180 -64.01 -29.7 70.83 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 121.825 2.102 . . . . 0.0 116.335 171.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . 0.324 1.7 p30 -77.34 -13.4 59.94 Favored 'General case' 0 N--CA 1.475 0.797 1 O-C-N 115.606 -4.433 . . . . 0.0 115.194 167.786 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.989 ' HB3' HG11 ' A' ' 27' ' ' VAL . 29.0 m -88.2 -14.63 38.08 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 129.123 2.969 . . . . 0.0 118.466 -168.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.16 -21.12 65.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 127.507 2.323 . . . . 0.0 113.422 -175.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 57' ' ' PRO . 2.9 mp -155.04 129.72 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.337 1 N-CA-C 99.543 -4.243 . . . . 0.0 99.543 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -85.17 -34.76 0.52 Allowed Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 121.473 3.879 . . . . 0.0 121.473 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 55' ' ' ILE . 14.2 Cg_endo -87.33 -128.15 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.157 0 CA-C-N 127.482 3.708 . . . . 0.0 113.847 -172.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 2.7 t-80 -75.24 -26.77 59.13 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 130.187 3.395 . . . . 0.0 115.515 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -87.47 8.13 26.21 Favored 'General case' 0 C--N 1.359 1.004 1 C-N-CA 133.099 4.559 . . . . 0.0 110.21 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.698 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -54.87 -60.71 2.99 Favored 'General case' 0 C--N 1.363 1.173 0 C-N-CA 127.532 2.333 . . . . 0.0 116.126 -179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.698 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.777 0.0 OUTLIER -61.31 -24.85 66.72 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -179.684 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -51.55 -24.17 4.98 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.465 33.5 mtm -115.29 9.29 15.65 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 121.707 2.049 . . . . 0.0 112.712 164.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 6.9 tttm -71.66 -34.85 70.06 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 119.85 -1.781 . . . . 0.0 109.222 171.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -64.29 -38.98 92.97 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.629 1.715 . . . . 0.0 115.629 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.374 7.2 p -76.41 -31.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 C-N-CA 126.367 1.867 . . . . 0.0 111.318 171.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 65.3 t-105 -58.35 -30.39 66.71 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.377 1.871 . . . . 0.0 114.734 173.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.64 -46.42 77.46 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 127.312 2.245 . . . . 0.0 112.957 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -77.26 -49.14 15.7 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.17 2.588 . . . . 0.0 113.695 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' HB1' HG12 ' A' ' 21' ' ' VAL 0.363 . . -53.05 -30.15 34.12 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 129.284 3.034 . . . . 0.0 116.45 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -37.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 129.884 3.274 . . . . 0.0 113.136 167.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.83 -41.06 90.52 Favored 'General case' 0 C--N 1.378 1.805 0 C-N-CA 128.48 2.712 . . . . 0.0 112.585 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -71.37 -50.78 28.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 129.03 2.932 . . . . 0.0 113.46 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.64 -51.1 60.0 Favored 'General case' 0 C--N 1.377 1.784 0 CA-C-N 121.887 2.13 . . . . 0.0 115.533 172.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -12.47 4.24 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.864 2.542 . . . . 0.0 117.864 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.15 -17.79 61.93 Favored 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.868 2.467 . . . . 0.0 113.744 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.6 p30 -146.23 -21.92 0.44 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 174.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.65 112.0 6.65 Favored 'General case' 0 C--N 1.363 1.161 0 CA-C-O 123.268 1.508 . . . . 0.0 112.695 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -179.98 119.33 0.06 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.307 2.243 . . . . 0.0 105.236 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 40.8 ttm180 -124.82 -0.32 7.98 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 125.746 1.618 . . . . 0.0 111.212 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.601 HG13 ' CE3' ' A' ' 98' ' ' TRP . 2.0 m -83.6 136.04 23.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 126.59 1.956 . . . . 0.0 111.181 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -103.97 148.45 26.18 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.497 1.119 . . . . 0.0 109.995 -176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 113.74 25.45 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 126.393 1.877 . . . . 0.0 106.547 174.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -119.28 144.63 46.68 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.6 m -95.04 110.33 22.26 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -148.16 148.2 30.31 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.08 119.42 26.36 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.466 2.306 . . . . 0.0 114.272 -176.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.62 124.88 34.9 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 O-C-N 120.446 -1.409 . . . . 0.0 107.992 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.85 20.74 70.77 Favored Glycine 0 N--CA 1.499 2.887 0 C-N-CA 125.137 1.351 . . . . 0.0 114.322 -177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.3 68.29 Favored Glycine 0 C--N 1.354 1.579 0 C-N-CA 125.222 1.391 . . . . 0.0 114.975 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.4 48.64 Favored 'General case' 0 C--N 1.367 1.366 0 CA-C-N 121.204 2.502 . . . . 0.0 110.229 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -95.07 116.9 29.3 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.232 2.213 . . . . 0.0 111.827 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.4 175.31 7.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.83 109.92 20.61 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 165.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.31 136.2 45.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -102.13 129.67 48.55 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 -176.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -136.33 142.49 43.86 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.051 -2.905 . . . . 0.0 108.81 -170.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CE3' HG13 ' A' ' 81' ' ' VAL . 4.5 t-105 -87.81 120.42 29.13 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.5 pt -108.93 145.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.363 1.169 0 C-N-CA 126.333 1.853 . . . . 0.0 109.258 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' A' ' 35' ' ' CYS . 4.6 mm100 -143.45 104.2 5.04 Favored Pre-proline 0 C--N 1.368 1.373 0 C-N-CA 125.526 1.53 . . . . 0.0 113.856 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -65.67 136.99 48.2 Favored 'Trans proline' 0 C--N 1.365 1.438 1 C-N-CA 125.324 4.016 . . . . 0.0 115.049 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.298 35.5 p 85.58 -122.15 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.675 1.99 . . . . 0.0 111.867 177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 71.55 -163.65 0.13 Allowed 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.893 2.077 . . . . 0.0 116.019 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.8 p -104.29 0.67 29.54 Favored 'General case' 0 C--N 1.365 1.258 0 C-N-CA 124.989 1.315 . . . . 0.0 111.907 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . 0.282 80.2 m 71.14 -59.43 0.54 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 129.531 3.132 . . . . 0.0 116.267 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 78.62 133.05 0.06 Allowed 'General case' 0 C--N 1.359 1.013 0 C-N-CA 128.612 2.765 . . . . 0.0 114.205 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -105.15 141.7 36.24 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 120.55 -1.344 . . . . 0.0 110.269 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.4 pt -77.52 85.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 C-N-CA 125.846 1.658 . . . . 0.0 113.903 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 109' ' ' LEU . 2.5 pt? -92.04 3.75 54.57 Favored 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.408 2.283 . . . . 0.0 113.239 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.282 27.5 t 82.48 82.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.039 0 C-N-CA 130.105 3.362 . . . . 0.0 110.549 -178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 tt -101.8 140.38 21.15 Favored Pre-proline 0 C--N 1.354 0.783 0 C-N-CA 126.27 1.828 . . . . 0.0 108.949 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -65.11 96.03 0.26 Allowed 'Trans proline' 0 C--N 1.372 1.798 1 C-N-CA 125.308 4.006 . . . . 0.0 113.75 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.6 m -167.46 -83.87 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 0 C-N-CA 125.473 1.509 . . . . 0.0 107.388 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . 0.255 31.7 mtmm 71.33 -47.73 0.66 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.23 2.212 . . . . 0.0 116.88 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.3 m -118.46 11.99 7.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.763 1.625 . . . . 0.0 108.562 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . 0.325 2.7 m-90 62.39 -58.99 0.13 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 130.363 3.465 . . . . 0.0 117.22 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.99 -16.16 39.21 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 129.083 2.953 . . . . 0.0 116.108 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 89.47 -33.41 4.36 Favored Glycine 0 C--N 1.361 1.918 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -79.34 -55.0 5.39 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.99 1.716 . . . . 0.0 113.397 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 71.48 -69.98 0.17 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.432 2.293 . . . . 0.0 116.792 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -138.38 102.35 4.61 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 125.826 1.65 . . . . 0.0 107.846 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -93.92 92.71 7.52 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.373 2.269 . . . . 0.0 108.884 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -89.53 177.32 6.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.34 154.49 47.61 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.989 1.716 . . . . 0.0 107.197 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 72.14 -52.5 0.7 Allowed 'General case' 0 C--N 1.359 1.001 0 C-N-CA 127.754 2.422 . . . . 0.0 116.157 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 79.69 49.6 0.03 OUTLIER 'General case' 0 C--N 1.367 1.336 0 C-N-CA 128.813 2.845 . . . . 0.0 112.15 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 127' ' ' LEU . 2.3 pt? -86.41 -15.49 40.15 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.993 2.917 . . . . 0.0 115.377 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.32 46.73 1.25 Allowed 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.327 2.251 . . . . 0.0 113.937 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -139.72 153.53 70.18 Favored Pre-proline 0 C--N 1.354 0.763 0 C-N-CA 128.533 2.733 . . . . 0.0 105.788 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.05 67.17 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 125.268 3.979 . . . . 0.0 114.806 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.32 -75.92 0.59 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.387 1.875 . . . . 0.0 109.904 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -88.57 83.84 6.77 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 125.877 1.671 . . . . 0.0 111.964 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--N 1.358 0.953 0 C-N-CA 125.923 1.689 . . . . 0.0 109.833 -178.148 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.155 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -173.45 156.48 2.84 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.513 1.925 . . . . 0.0 106.546 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -78.65 -172.36 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.728 3.618 . . . . 0.0 114.881 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -116.25 159.48 21.79 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.465 1.106 . . . . 0.0 111.058 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -120.76 27.48 8.49 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 126.079 1.752 . . . . 0.0 109.547 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -100.68 7.04 44.13 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.212 2.205 . . . . 0.0 112.232 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -86.09 -116.64 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 C-N-CA 128.205 2.602 . . . . 0.0 114.777 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -79.73 -13.77 59.22 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 130.041 3.337 . . . . 0.0 114.296 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -70.28 -27.75 64.67 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 129.545 3.138 . . . . 0.0 111.884 172.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -55.76 -14.72 2.47 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 128.03 2.532 . . . . 0.0 115.832 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.71 -28.33 68.35 Favored 'General case' 0 C--N 1.357 0.9 1 C-N-CA 132.728 4.411 . . . . 0.0 114.297 169.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.46 -31.39 62.22 Favored 'General case' 0 C--N 1.37 1.474 0 C-N-CA 124.633 1.173 . . . . 0.0 113.437 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.08 -46.89 85.29 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -64.4 -29.76 70.81 Favored 'General case' 0 CA--C 1.534 0.355 1 C-N-CA 135.2 5.4 . . . . 0.0 114.563 -177.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -77.74 19.03 0.41 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 119.229 -2.169 . . . . 0.0 115.269 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -109.58 -10.59 14.84 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.848 3.659 . . . . 0.0 109.188 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -70.77 -38.83 73.45 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 126.802 2.041 . . . . 0.0 114.592 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.296 54.5 m-85 -52.91 -16.78 1.12 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.51 3.524 . . . . 0.0 118.282 -172.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -83.55 -83.93 0.14 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.618 1.967 . . . . 0.0 111.537 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.264 0.0 OUTLIER -77.39 -26.44 51.8 Favored 'General case' 0 C--N 1.365 1.282 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -176.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG12 ' HB1' ' A' ' 70' ' ' ALA 0.321 2.2 m -74.26 -32.53 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.309 -1.494 . . . . 0.0 114.42 -174.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.28 4.1 p -52.27 -33.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 C-N-CA 127.766 2.426 . . . . 0.0 115.937 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.33 -27.05 60.52 Favored 'General case' 0 C--N 1.37 1.49 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 167.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 27' ' ' VAL 0.335 1.1 mt -76.61 -38.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 125.894 1.678 . . . . 0.0 114.006 178.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 16.8 pt -54.1 -29.98 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 121.066 1.757 . . . . 0.0 114.908 178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.2 -18.12 65.15 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 128.101 2.56 . . . . 0.0 115.358 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.889 HG21 ' HB ' ' A' ' 50' ' ' VAL 0.251 33.1 m -69.78 -47.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.383 2.037 0 CA-C-N 122.037 2.199 . . . . 0.0 111.695 173.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD13 HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -72.47 -54.02 10.47 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -54.66 -27.09 37.43 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 130.995 3.718 . . . . 0.0 116.359 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -76.87 -47.98 19.69 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.624 2.37 . . . . 0.0 114.167 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 98' ' ' TRP . 5.5 m170 -73.08 -31.0 64.1 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.026 -1.671 . . . . 0.0 110.915 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -52.74 -34.7 53.98 Favored 'General case' 0 C--N 1.371 1.534 1 C-N-CA 133.396 4.679 . . . . 0.0 116.373 176.949 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.75 -37.38 67.72 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 171.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.22 -25.72 60.86 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 128.817 2.847 . . . . 0.0 115.079 170.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.261 0.5 OUTLIER -57.12 -31.25 65.11 Favored 'General case' 0 CA--C 1.494 -1.194 0 C-N-CA 127.453 2.301 . . . . 0.0 116.996 -174.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -13.99 0.44 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 129.232 3.013 . . . . 0.0 117.568 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.34 -16.46 12.94 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 129.736 3.215 . . . . 0.0 113.693 -173.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -123.75 154.59 39.28 Favored 'General case' 0 CA--C 1.484 -1.592 0 O-C-N 119.219 -2.176 . . . . 0.0 106.378 -170.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -55.79 10.85 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.334 1.054 . . . . 0.0 112.994 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.322 1.0 OUTLIER -149.94 88.68 1.55 Allowed 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.878 2.071 . . . . 0.0 105.5 169.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.265 2.7 pt? -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 126.687 1.995 . . . . 0.0 115.106 175.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.274 3.6 tp60 -90.95 38.18 0.0 OUTLIER Pre-proline 0 N--CA 1.438 -1.055 1 C-N-CA 133.624 4.77 . . . . 0.0 112.638 168.5 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -41.62 -34.22 2.09 Favored 'Trans proline' 0 C--N 1.401 3.321 2 C-N-CA 129.237 6.625 . . . . 0.0 114.379 -162.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -154.91 158.91 40.02 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.3 ptp -143.46 145.1 30.42 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 128.488 2.715 . . . . 0.0 105.662 170.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' H ' ' A' ' 49' ' ' HIS . 30.2 Cg_endo -78.32 178.85 7.08 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 124.263 3.309 . . . . 0.0 110.799 167.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' HE ' ' A' ' 51' ' ' ARG 0.313 1.6 mt -65.73 -52.65 41.31 Favored Pre-proline 0 C--N 1.367 1.331 0 O-C-N 120.1 -1.625 . . . . 0.0 111.4 173.431 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.854 1.2 Cg_endo -50.82 -16.55 2.5 Favored 'Trans proline' 0 C--N 1.368 1.599 1 C-N-CA 127.339 5.359 . . . . 0.0 121.629 167.015 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.537 ' H ' ' HG2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -61.02 -48.32 82.33 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 123.483 2.856 . . . . 0.0 110.629 169.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.889 ' HB ' HG21 ' A' ' 27' ' ' VAL 0.314 0.8 OUTLIER -74.19 -33.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 C-N-CA 125.488 1.515 . . . . 0.0 111.255 171.482 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.344 35.7 mtt180 -65.91 -31.2 71.99 Favored 'General case' 0 C--N 1.379 1.866 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 167.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.27 -13.8 5.92 Favored 'General case' 0 C--N 1.371 1.52 0 CA-C-N 122.656 2.48 . . . . 0.0 116.129 173.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.6 t -91.37 -23.85 19.95 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 128.53 2.732 . . . . 0.0 117.178 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 51' ' ' ARG 0.328 0.0 OUTLIER -69.56 -23.92 63.63 Favored 'General case' 0 C--N 1.378 1.832 0 O-C-N 119.899 -1.75 . . . . 0.0 113.463 -170.193 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.0 mp -155.47 150.39 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 128.608 2.763 . . . . 0.0 106.583 174.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -91.33 -53.15 0.28 Allowed Pre-proline 0 C--N 1.371 1.526 1 N-CA-C 123.474 4.62 . . . . 0.0 123.474 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -85.72 -122.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 124.716 3.611 . . . . 0.0 113.892 -169.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -76.23 -27.8 56.93 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.007 2.923 . . . . 0.0 113.765 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -87.51 7.06 31.13 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 128.279 2.631 . . . . 0.0 110.939 178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.582 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -46.42 -43.96 16.85 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.518 3.127 . . . . 0.0 116.455 -176.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.748 1.0 OUTLIER -71.14 -24.67 62.32 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 130.018 3.327 . . . . 0.0 117.77 170.899 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -53.25 -19.2 2.94 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 119.682 3.215 . . . . 0.0 119.682 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.332 57.3 mtm -115.17 8.42 15.59 Favored 'General case' 0 C--N 1.359 1.022 0 O-C-N 119.9 -1.75 . . . . 0.0 109.905 165.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 1.4 tttp -72.44 -38.41 68.31 Favored 'General case' 0 C--N 1.385 2.148 0 O-C-N 119.302 -2.124 . . . . 0.0 109.607 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -64.47 -34.19 77.62 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 123.348 1.547 . . . . 0.0 113.975 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.18 -32.33 26.18 Favored 'Isoleucine or valine' 0 C--N 1.369 1.422 0 C-N-CA 130.353 3.461 . . . . 0.0 111.461 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' VAL . 72.4 t-105 -55.77 -38.06 69.37 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 127.896 2.478 . . . . 0.0 114.196 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -54.59 -40.27 68.67 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.828 2.851 . . . . 0.0 113.198 173.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -77.2 -53.68 7.44 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 126.693 1.997 . . . . 0.0 112.713 167.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB1' HG12 ' A' ' 21' ' ' VAL . . . -52.93 -31.76 41.92 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 67' ' ' TRP . 5.7 t -51.77 -42.82 32.83 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 1 C-N-CA 132.557 4.343 . . . . 0.0 111.971 169.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.83 -40.42 66.41 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.29 3.036 . . . . 0.0 113.863 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -70.46 -57.27 4.97 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 126.262 1.825 . . . . 0.0 114.707 174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 21' ' ' VAL . 32.2 mt -60.79 -50.17 74.52 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 173.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.07 -13.07 57.06 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.69 6.83 14.06 Favored 'General case' 0 C--N 1.376 1.729 0 C-N-CA 124.873 1.269 . . . . 0.0 113.92 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -107.9 -87.47 0.49 Allowed 'General case' 0 C--N 1.366 1.297 0 C-N-CA 127.01 2.124 . . . . 0.0 108.901 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -171.29 166.86 7.05 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 p -149.66 132.12 15.7 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 120.636 1.562 . . . . 0.0 109.461 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -78.29 30.7 0.18 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.919 2.488 . . . . 0.0 115.272 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.456 ' CG2' ' CE3' ' A' ' 98' ' ' TRP . 1.1 t -157.4 134.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -107.4 136.04 47.87 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 120.522 1.51 . . . . 0.0 113.625 -172.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -92.38 124.05 36.15 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.73 2.412 . . . . 0.0 113.717 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -125.62 151.8 46.01 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.548 -1.345 . . . . 0.0 108.158 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.04 110.26 21.26 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 104.818 -2.29 . . . . 0.0 104.818 170.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -140.17 141.2 36.02 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.946 -1.721 . . . . 0.0 108.143 -172.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -91.91 118.43 30.73 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.689 1.596 . . . . 0.0 113.436 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.38 124.38 40.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 124.667 1.187 . . . . 0.0 107.848 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.27 20.7 75.35 Favored Glycine 0 N--CA 1.5 2.903 0 C-N-CA 125.022 1.296 . . . . 0.0 113.699 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.72 14.22 70.79 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 125.586 1.565 . . . . 0.0 115.177 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -135.44 134.4 39.59 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 120.514 2.157 . . . . 0.0 109.918 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.99 114.82 27.49 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 129.77 3.228 . . . . 0.0 112.178 -177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -122.75 176.35 6.01 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.481 -1.387 . . . . 0.0 107.465 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.43 109.31 21.18 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.61 144.06 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 103.614 -2.735 . . . . 0.0 103.614 -172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.416 ' CH2' HG23 ' A' ' 47' ' ' ILE . 3.7 m0 -102.58 150.64 23.21 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -158.88 152.44 22.98 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 118.432 -2.668 . . . . 0.0 104.644 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 31' ' ' HIS 1.072 0.0 OUTLIER -123.21 146.8 47.52 Favored 'General case' 0 N--CA 1.483 1.181 1 N-CA-C 126.02 5.563 . . . . 0.0 126.02 179.473 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.09 109.7 18.41 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 1 C-N-CA 133.191 4.596 . . . . 0.0 107.934 174.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -111.66 112.02 54.04 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 115.753 -2.07 . . . . 0.0 110.582 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -67.11 129.7 21.15 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 125.046 3.831 . . . . 0.0 117.102 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.302 18.0 t 90.97 140.36 0.03 OUTLIER 'General case' 0 C--N 1.359 1.02 0 C-N-CA 127.844 2.458 . . . . 0.0 115.517 176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -97.44 -174.22 2.86 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 127.071 2.148 . . . . 0.0 109.113 173.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -100.83 -116.33 0.17 Allowed 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.671 -1.268 . . . . 0.0 110.179 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 49.0 t -95.48 -89.99 0.24 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.471 1.508 . . . . 0.0 107.095 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -124.43 65.03 1.08 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -107.12 141.54 38.21 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.61 -1.306 . . . . 0.0 110.093 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.568 HG23 ' H ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -98.97 -74.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 126.027 1.731 . . . . 0.0 108.387 174.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' H ' HG23 ' A' ' 108' ' ' ILE . 54.0 tp -150.82 143.27 24.32 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 p -85.97 -0.82 6.8 Favored 'Isoleucine or valine' 0 C--N 1.368 1.383 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.0 tp -120.24 92.42 47.21 Favored Pre-proline 0 C--N 1.354 0.788 0 O-C-N 119.96 -1.712 . . . . 0.0 109.946 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.73 65.88 8.84 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 124.656 3.571 . . . . 0.0 113.119 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -129.03 128.73 44.21 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.873 1.669 . . . . 0.0 106.67 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 54.29 1.34 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 125.401 1.48 . . . . 0.0 107.661 -177.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.08 53.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.48 2.712 . . . . 0.0 117.683 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -94.94 -13.3 25.47 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.641 2.376 . . . . 0.0 111.93 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -124.1 174.6 7.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.24 121.98 5.68 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 120.156 -1.59 . . . . 0.0 113.529 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -74.32 59.71 0.8 Allowed 'General case' 0 C--N 1.358 0.947 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.55 52.52 1.19 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.584 1.953 . . . . 0.0 114.154 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 59.05 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.36 1.033 0 C-N-CA 130.91 3.684 . . . . 0.0 116.905 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -157.6 53.86 0.48 Allowed 'General case' 0 C--N 1.353 0.731 0 C-N-CA 125.508 1.523 . . . . 0.0 107.077 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.255 22.7 mt 82.2 41.42 0.04 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 129.647 3.179 . . . . 0.0 114.21 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.82 76.56 10.0 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 119.591 -1.943 . . . . 0.0 112.534 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 70.54 -53.91 0.65 Allowed 'General case' 0 C--N 1.367 1.358 0 C-N-CA 127.934 2.494 . . . . 0.0 116.002 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -80.0 25.28 0.38 Allowed 'General case' 0 C--N 1.357 0.912 0 C-N-CA 129.34 3.056 . . . . 0.0 114.935 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.3 tp -161.08 27.53 0.14 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 124.615 1.166 . . . . 0.0 108.335 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -108.21 98.08 7.68 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 119.407 -2.058 . . . . 0.0 108.479 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -98.58 -70.44 0.04 OUTLIER Pre-proline 0 C--N 1.358 0.947 0 CA-C-O 115.942 -1.98 . . . . 0.0 113.082 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -79.05 60.73 7.91 Favored 'Trans proline' 0 C--N 1.369 1.652 0 CA-C-N 127.301 3.643 . . . . 0.0 111.773 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -93.35 -22.55 18.88 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.58 2.352 . . . . 0.0 115.707 -171.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 72.54 -62.28 0.47 Allowed 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.912 2.485 . . . . 0.0 115.706 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--N 1.356 0.872 0 C-N-CA 125.536 1.534 . . . . 0.0 108.852 -178.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.197 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -110.21 103.59 54.09 Favored Pre-proline 0 C--N 1.351 0.652 0 C-N-CA 126.43 1.892 . . . . 0.0 109.859 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -84.41 179.52 4.45 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.917 3.078 . . . . 0.0 112.443 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.2 -148.72 0.43 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.659 1.984 . . . . 0.0 106.903 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -84.24 67.01 9.62 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 119.469 -2.019 . . . . 0.0 108.663 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.28 3.28 48.76 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.406 2.283 . . . . 0.0 114.359 -172.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -36.19 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 1 C-N-CA 133.785 4.834 . . . . 0.0 120.124 -178.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -99.98 -13.31 19.15 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.878 2.071 . . . . 0.0 111.065 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -49.41 -28.72 5.44 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 130.376 3.47 . . . . 0.0 116.822 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.12 -12.12 1.39 Allowed 'General case' 0 C--N 1.359 0.989 1 C-N-CA 131.748 4.019 . . . . 0.0 115.014 167.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 2.8 tt0 -46.89 -29.47 2.02 Favored 'General case' 0 C--N 1.376 1.735 1 C-N-CA 133.658 4.783 . . . . 0.0 118.101 -166.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.21 -36.45 84.12 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 125.895 1.678 . . . . 0.0 113.001 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -65.6 -46.39 79.51 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 119.147 3.017 . . . . 0.0 119.147 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.526 ' CG2' ' HA ' ' A' ' 11' ' ' GLU . 9.8 t -77.7 -52.51 8.85 Favored 'General case' 0 CA--C 1.542 0.649 1 C-N-CA 134.858 5.263 . . . . 0.0 108.471 -178.222 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 38.51 -87.08 0.01 OUTLIER 'General case' 0 C--N 1.369 1.427 0 C-N-CA 131.136 3.774 . . . . 0.0 119.728 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.03 1.07 14.53 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.008 2.523 . . . . 0.0 112.866 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . 0.29 0.0 OUTLIER -53.82 -33.39 55.98 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 128.467 2.707 . . . . 0.0 114.806 176.476 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -51.1 -16.88 0.53 Allowed 'General case' 0 C--N 1.374 1.659 1 C-N-CA 132.086 4.154 . . . . 0.0 114.688 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.16 -80.65 0.36 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.154 1.782 . . . . 0.0 109.253 166.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.34 73.9 mmm -55.72 -26.45 45.38 Favored 'General case' 0 C--N 1.376 1.742 0 N-CA-C 119.882 3.29 . . . . 0.0 119.882 -174.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -75.11 -34.01 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 172.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.261 27.2 t -53.61 -46.31 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.434 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -26.95 60.26 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 119.711 -1.868 . . . . 0.0 115.779 170.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 54' ' ' LEU 0.301 1.4 mt -76.37 -39.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 C-N-CA 125.468 1.507 . . . . 0.0 112.996 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -53.51 -29.64 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 126.652 1.981 . . . . 0.0 114.589 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -64.94 -19.97 66.23 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 127.882 2.473 . . . . 0.0 114.587 169.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 24' ' ' ILE 0.309 4.1 m -69.32 -50.53 51.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.039 0 C-N-CA 125.955 1.702 . . . . 0.0 110.983 171.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.42 -53.12 17.76 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -54.72 -29.49 53.48 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 127.421 2.288 . . . . 0.0 116.607 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -78.12 -53.26 7.58 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.477 3.111 . . . . 0.0 114.693 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -56.52 -37.81 70.96 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 131.428 3.891 . . . . 0.0 110.647 174.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -66.27 -39.42 89.42 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -71.3 -35.17 71.2 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 124.696 2.189 . . . . 0.0 112.688 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.15 62.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.875 2.87 . . . . 0.0 113.653 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.3 t -75.48 -34.29 60.87 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.121 1.769 . . . . 0.0 115.028 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -67.02 -13.42 61.89 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.534 2.734 . . . . 0.0 114.396 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -21.98 23.13 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 127.681 2.392 . . . . 0.0 111.142 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -109.91 -177.59 3.3 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.146 2.978 . . . . 0.0 106.838 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -64.75 0.85 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.87 2.068 . . . . 0.0 109.699 175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.9 122.77 8.12 Favored 'General case' 0 N--CA 1.435 -1.202 1 N-CA-C 91.573 -7.195 . . . . 0.0 91.573 163.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 HD12 HE21 ' A' ' 42' ' ' GLN 0.348 4.6 pp -66.88 -26.59 66.96 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 125.046 3.566 . . . . 0.0 116.896 -178.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.574 HE21 HD12 ' A' ' 41' ' ' LEU 0.589 0.3 OUTLIER -101.21 37.88 0.04 OUTLIER Pre-proline 0 N--CA 1.439 -1.021 3 C-N-CA 135.538 5.535 . . . . 0.0 123.476 -179.773 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -39.21 -25.15 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.047 2 C-N-CA 128.874 6.383 . . . . 0.0 119.214 -158.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -155.73 156.58 35.12 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.474 2.71 . . . . 0.0 105.85 161.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HG2' ' HG2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -147.14 132.41 9.1 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 129.24 3.016 . . . . 0.0 108.284 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -70.81 168.07 24.0 Favored 'Trans proline' 0 CA--C 1.554 1.481 0 CA-C-N 127.837 3.835 . . . . 0.0 112.871 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.346 8.5 mt -56.52 -45.44 99.93 Favored Pre-proline 0 N--CA 1.501 2.102 0 C-N-CA 126.008 1.723 . . . . 0.0 111.426 172.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' O ' ' HB3' ' A' ' 51' ' ' ARG 0.714 3.1 Cg_exo -49.76 -13.92 0.65 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 1 C-N-CA 127.4 5.4 . . . . 0.0 120.168 152.986 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -36.41 61.64 Favored 'General case' 0 N--CA 1.519 3.023 2 CA-C-N 129.711 5.687 . . . . 0.0 112.631 178.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.393 16.7 t -67.79 -32.28 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.541 0 C-N-CA 128.76 2.824 . . . . 0.0 111.171 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 48' ' ' PRO . 18.0 ttp180 -52.3 -34.41 46.73 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 119.366 -2.084 . . . . 0.0 113.908 160.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.24 -14.79 62.77 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 119.569 -1.957 . . . . 0.0 114.521 170.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m -91.87 -45.67 8.26 Favored 'General case' 0 C--N 1.375 1.692 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.606 ' HB3' HD11 ' A' ' 24' ' ' ILE 0.253 0.0 OUTLIER -67.97 -28.31 67.35 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.304 1.442 . . . . 0.0 114.12 -166.603 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.27 148.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 128.135 2.574 . . . . 0.0 106.312 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -50.55 0.34 Allowed Pre-proline 0 CA--C 1.562 1.427 0 N-CA-C 120.469 3.507 . . . . 0.0 120.469 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 25.6 Cg_endo -83.21 -140.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 1 C-N-CA 125.49 4.127 . . . . 0.0 114.352 -170.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 13.6 p-80 -65.57 -26.71 67.99 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.39 3.476 . . . . 0.0 114.768 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -85.12 6.8 24.08 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 129.316 3.046 . . . . 0.0 112.638 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.334 0.0 OUTLIER -46.69 -42.16 16.11 Favored 'General case' 0 C--N 1.381 1.954 0 C-N-CA 129.179 2.992 . . . . 0.0 115.191 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.776 1.8 tmtm? -69.8 -24.06 63.43 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.835 2.454 . . . . 0.0 117.509 172.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -53.09 -23.6 8.23 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 120.144 3.387 . . . . 0.0 120.144 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.426 75.0 mtm -114.92 8.54 15.92 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 120.72 -1.238 . . . . 0.0 110.822 167.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 17.5 tttt -71.88 -36.13 69.97 Favored 'General case' 0 C--N 1.385 2.151 0 CA-C-N 120.772 1.624 . . . . 0.0 109.106 169.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -57.27 -48.44 78.88 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 126.817 2.047 . . . . 0.0 115.524 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.292 8.0 p -76.62 -32.32 20.85 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 C-N-CA 125.377 1.471 . . . . 0.0 111.941 171.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 34.1 t-105 -60.01 -34.35 73.24 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.121 1.768 . . . . 0.0 112.939 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.75 -34.23 71.17 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 127.166 2.186 . . . . 0.0 113.788 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -53.93 6.81 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.35 2.26 . . . . 0.0 113.553 163.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -54.58 -34.12 61.39 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 128.608 2.763 . . . . 0.0 115.802 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -60.42 -30.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 130.117 3.367 . . . . 0.0 114.397 169.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.258 12.2 t70 -54.99 -46.43 75.14 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 127.738 2.415 . . . . 0.0 112.992 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.32 -51.43 60.66 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-N 120.929 1.695 . . . . 0.0 114.602 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.59 -52.53 54.78 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 128.908 2.883 . . . . 0.0 114.501 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.9 -31.07 69.72 Favored 'General case' 0 C--N 1.362 1.141 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.74 -4.76 45.02 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -104.44 -6.76 20.38 Favored 'General case' 0 C--N 1.366 1.286 0 C-N-CA 125.117 1.367 . . . . 0.0 112.238 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.264 14.1 tp10 84.31 101.74 0.04 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 127.243 2.217 . . . . 0.0 114.562 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.4 p -90.87 165.74 13.44 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.263 2.225 . . . . 0.0 112.771 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -81.68 -13.6 57.67 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 119.149 -2.219 . . . . 0.0 115.484 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.86 HG12 ' HB3' ' A' ' 98' ' ' TRP . 11.3 m -90.39 126.11 43.21 Favored 'Isoleucine or valine' 0 C--N 1.367 1.352 0 C-N-CA 127.886 2.475 . . . . 0.0 106.011 170.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -101.34 156.19 17.6 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 126.393 1.877 . . . . 0.0 109.035 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.65 120.1 33.49 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.813 1.645 . . . . 0.0 108.455 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -122.23 142.53 50.35 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 m -98.13 110.59 23.14 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -141.36 146.84 37.16 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 120.339 -1.476 . . . . 0.0 107.566 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -85.95 123.19 31.0 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 127.826 2.451 . . . . 0.0 111.858 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.48 122.87 30.21 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.97 68.69 Favored Glycine 0 N--CA 1.501 2.969 0 C-N-CA 125.099 1.333 . . . . 0.0 115.134 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.3 1.64 66.55 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-O 118.257 -1.302 . . . . 0.0 115.477 -174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -133.79 136.74 44.7 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 121.652 2.726 . . . . 0.0 110.106 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.35 117.53 30.26 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 128.539 2.735 . . . . 0.0 112.333 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -125.85 172.16 10.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.21 109.96 21.34 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 45' ' ' MET . 0.2 OUTLIER -102.39 155.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 N-CA-C 103.315 -2.846 . . . . 0.0 103.315 -176.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -100.79 148.83 24.48 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 167.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -152.99 154.49 35.07 Favored 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 175.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.86 ' HB3' HG12 ' A' ' 81' ' ' VAL 0.887 0.1 OUTLIER -123.52 146.22 48.27 Favored 'General case' 0 C--N 1.364 1.234 1 N-CA-C 127.346 6.054 . . . . 0.0 127.346 -179.268 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.75 151.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 C-N-CA 128.224 2.609 . . . . 0.0 108.111 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 154.17 75.78 Favored Pre-proline 0 C--N 1.353 0.721 0 C-N-CA 128.032 2.533 . . . . 0.0 111.917 -170.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -63.42 161.69 30.21 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 125.213 3.942 . . . . 0.0 117.646 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t 80.2 -176.86 0.07 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 128.11 2.564 . . . . 0.0 116.069 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.1 51.18 2.07 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.566 1.547 . . . . 0.0 109.894 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.6 m -74.03 -49.84 22.46 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 128.84 2.856 . . . . 0.0 115.007 -174.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 98.4 m -122.3 152.62 39.9 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -73.35 62.45 0.71 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.156 2.182 . . . . 0.0 116.281 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -87.03 -28.33 22.67 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.337 2.255 . . . . 0.0 111.021 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.9 mt 74.48 -52.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 129.397 3.079 . . . . 0.0 113.249 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . 0.288 15.1 tp 81.51 64.46 0.02 OUTLIER 'General case' 0 C--N 1.353 0.745 0 C-N-CA 130.769 3.628 . . . . 0.0 111.197 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.0 t -74.85 -28.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 C-N-CA 126.649 1.98 . . . . 0.0 112.452 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . 0.285 24.7 mm 84.66 118.64 0.03 OUTLIER Pre-proline 0 C--N 1.37 1.457 0 C-N-CA 130.847 3.659 . . . . 0.0 111.382 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.47 70.13 7.63 Favored 'Trans proline' 0 C--N 1.367 1.501 0 C-N-CA 124.794 3.662 . . . . 0.0 111.885 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.1 m -177.66 174.4 1.51 Allowed 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.794 -2.669 . . . . 0.0 103.794 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? 73.23 -44.14 0.58 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 173.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -81.31 154.23 4.19 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 129.296 3.038 . . . . 0.0 114.12 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -83.13 118.5 23.62 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 128.032 2.533 . . . . 0.0 110.829 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.16 157.11 44.5 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 120.581 -1.325 . . . . 0.0 109.953 -177.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.39 -67.77 3.42 Favored Glycine 0 C--N 1.365 2.156 0 C-N-CA 127.422 2.439 . . . . 0.0 113.176 -175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -82.7 65.27 7.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 128.016 2.526 . . . . 0.0 112.911 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.99 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.107 1.763 . . . . 0.0 110.748 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.269 58.0 m-85 92.77 133.77 0.03 OUTLIER 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.782 3.233 . . . . 0.0 111.259 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -107.97 35.85 2.98 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 125.178 1.391 . . . . 0.0 111.442 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 tp -76.45 60.81 1.64 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.406 2.282 . . . . 0.0 114.297 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -156.14 -47.31 0.08 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 129.241 3.016 . . . . 0.0 104.452 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -113.7 60.4 0.66 Allowed 'General case' 0 C--N 1.362 1.115 0 C-N-CA 127.05 2.14 . . . . 0.0 108.432 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -121.81 100.08 6.8 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.325 9.2 mp 90.11 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.355 0 C-N-CA 128.98 2.912 . . . . 0.0 109.642 -171.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -78.7 55.35 1.66 Allowed 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.855 2.062 . . . . 0.0 112.676 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -103.55 153.36 38.65 Favored Pre-proline 0 C--N 1.348 0.515 0 C-N-CA 127.631 2.372 . . . . 0.0 107.405 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -76.55 98.87 1.24 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.085 3.19 . . . . 0.0 112.978 -174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -104.66 -150.13 0.42 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.037 1.735 . . . . 0.0 110.154 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -114.12 64.62 0.66 Allowed 'General case' 0 C--N 1.363 1.179 0 O-C-N 119.997 -1.689 . . . . 0.0 111.189 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.359 0.998 0 C-N-CA 125.47 1.508 . . . . 0.0 109.781 -179.453 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.18 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -167.62 123.8 0.88 Allowed Pre-proline 0 C--N 1.353 0.733 0 CA-C-O 116.351 -1.785 . . . . 0.0 106.655 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -79.31 -177.19 3.7 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 124.746 3.631 . . . . 0.0 115.299 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -74.35 -22.6 59.15 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 118.564 2.801 . . . . 0.0 118.564 -175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.25 7.4 t80 98.13 4.3 0.02 OUTLIER 'General case' 0 C--N 1.354 0.785 0 C-N-CA 129.318 3.047 . . . . 0.0 110.058 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -87.58 28.57 0.97 Allowed 'General case' 0 C--N 1.363 1.193 0 C-N-CA 128.897 2.879 . . . . 0.0 111.7 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -92.27 172.78 8.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 131.388 3.875 . . . . 0.0 111.491 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -80.05 -14.53 58.46 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 119.272 -2.142 . . . . 0.0 113.765 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.421 35.8 mtmm -67.14 -26.21 66.56 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 127.646 2.378 . . . . 0.0 115.587 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.303 9.5 pt-20 -56.0 -14.64 2.69 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 126.509 1.924 . . . . 0.0 115.674 171.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.83 -28.7 61.74 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.742 2.817 . . . . 0.0 113.619 168.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.03 -31.11 68.59 Favored 'General case' 0 C--N 1.371 1.505 0 C-N-CA 126.353 1.861 . . . . 0.0 113.18 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.11 -46.11 82.89 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 131.118 3.767 . . . . 0.0 119.354 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.254 8.8 t -72.18 -28.82 63.46 Favored 'General case' 0 N--CA 1.452 -0.341 1 C-N-CA 132.037 4.135 . . . . 0.0 113.466 -176.716 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.25 -14.97 61.95 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 127.687 2.395 . . . . 0.0 115.009 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -94.32 -8.39 39.1 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.813 2.445 . . . . 0.0 112.121 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 21' ' ' VAL . 12.6 ttm -65.44 -50.59 64.86 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.379 2.672 . . . . 0.0 115.598 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . 0.253 71.2 m-85 -51.81 -14.62 0.39 Allowed 'General case' 0 C--N 1.348 0.514 0 C-N-CA 131.167 3.787 . . . . 0.0 120.523 -168.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.65 -98.9 0.05 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.451 1.501 . . . . 0.0 110.375 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.475 18.7 mmm -57.79 -25.06 60.02 Favored 'General case' 0 C--N 1.372 1.569 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 17' ' ' MET . 55.9 t -75.0 -34.79 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.062 -1.649 . . . . 0.0 113.594 170.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.41 0.3 OUTLIER -53.08 -37.08 25.96 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 -171.642 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HE2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -74.23 -32.66 63.07 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 120.27 1.395 . . . . 0.0 114.419 169.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 67' ' ' TRP 0.364 9.3 mt -71.17 -35.04 56.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 127.862 2.465 . . . . 0.0 114.403 177.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.378 0.0 OUTLIER -59.24 -30.46 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 118.626 -2.546 . . . . 0.0 114.755 175.313 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.36 -37.68 81.48 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 128.421 2.688 . . . . 0.0 114.446 171.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 24' ' ' ILE . 55.0 t -61.34 -47.73 92.12 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 C-N-CA 130.743 3.617 . . . . 0.0 110.993 173.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.3 mm? -71.96 -52.53 16.7 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 173.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 18.7 ptp180 -59.57 -26.36 65.33 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 m -72.28 -49.96 30.78 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 128.818 2.847 . . . . 0.0 112.334 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 31.7 p-80 -68.11 -32.59 73.0 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 123.708 0.803 . . . . 0.0 111.721 175.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.351 47.2 m-80 -55.45 -30.13 59.95 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 130.806 3.642 . . . . 0.0 120.274 174.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.17 -44.86 74.99 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-O 123.695 1.712 . . . . 0.0 112.5 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.16 -26.97 60.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.058 2.143 . . . . 0.0 114.971 166.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -72.22 -31.11 65.55 Favored 'General case' 0 C--N 1.376 1.759 0 C-N-CA 127.522 2.329 . . . . 0.0 113.506 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HA ' ' HG3' ' A' ' 100' ' ' GLN 0.455 3.1 pp0? -58.21 -9.85 1.68 Allowed 'General case' 0 C--N 1.372 1.585 0 C-N-CA 129.372 3.069 . . . . 0.0 114.874 170.398 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -123.93 -45.63 2.0 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 128.92 2.888 . . . . 0.0 111.003 -170.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -115.13 104.63 12.05 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -27.8 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.828 1 C-N-CA 134.821 5.248 . . . . 0.0 120.004 -165.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -151.6 83.49 1.29 Allowed 'General case' 0 N--CA 1.427 -1.582 1 N-CA-C 98.671 -4.566 . . . . 0.0 98.671 171.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -16.3 61.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 118.916 -2.365 . . . . 0.0 113.858 171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.86 0.02 OUTLIER Pre-proline 0 N--CA 1.423 -1.798 1 C-N-CA 138.678 6.791 . . . . 0.0 111.143 169.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -54.63 -25.35 41.14 Favored 'Trans proline' 0 C--N 1.396 3.043 1 C-N-CA 127.244 5.296 . . . . 0.0 113.075 -165.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -163.72 147.32 10.14 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 131.331 3.853 . . . . 0.0 106.512 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.462 ' SD ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 mtm -146.26 150.06 40.12 Favored Pre-proline 0 C--N 1.361 1.101 0 C-N-CA 129.094 2.958 . . . . 0.0 106.324 170.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -76.79 169.29 22.02 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 124.88 3.72 . . . . 0.0 110.848 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.409 HG23 ' CZ3' ' A' ' 96' ' ' TRP 0.373 2.6 mt -61.85 -46.2 92.51 Favored Pre-proline 0 C--N 1.369 1.43 0 O-C-N 119.825 -1.797 . . . . 0.0 111.332 175.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.979 6.7 Cg_endo -49.39 -14.8 0.65 Allowed 'Trans proline' 0 C--N 1.367 1.518 1 C-N-CA 128.158 5.906 . . . . 0.0 120.452 157.286 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.462 ' CD2' ' SD ' ' A' ' 45' ' ' MET . 15.8 t-80 -58.45 -45.47 88.48 Favored 'General case' 0 N--CA 1.507 2.413 2 CA-C-N 128.017 4.917 . . . . 0.0 110.995 168.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.401 1.5 m -76.44 -51.16 20.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.819 2.048 . . . . 0.0 110.849 170.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 67' ' ' TRP 0.279 89.8 mtt180 -62.48 -29.58 70.64 Favored 'General case' 0 C--N 1.379 1.882 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 172.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.54 -15.41 58.61 Favored 'General case' 0 N--CA 1.482 1.174 1 O-C-N 116.115 -4.116 . . . . 0.0 115.739 173.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.5 m -90.97 -16.75 27.49 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.061 2.944 . . . . 0.0 118.72 -170.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -66.17 -23.99 66.56 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 128.049 2.54 . . . . 0.0 111.196 -175.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.06 149.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 174.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -90.85 -42.27 0.4 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 129.982 3.313 . . . . 0.0 119.22 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB2' ' H ' ' A' ' 58' ' ' HIS . 8.3 Cg_endo -88.12 -133.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.598 0 C-N-CA 124.622 3.548 . . . . 0.0 113.361 -167.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' A' ' 57' ' ' PRO . 84.7 t60 -71.41 -27.52 63.36 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 128.59 2.756 . . . . 0.0 114.106 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -86.31 3.72 42.15 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.491 1.917 . . . . 0.0 111.964 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . 0.252 0.0 OUTLIER -46.2 -46.82 17.76 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 128.993 2.917 . . . . 0.0 116.259 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 64' ' ' LYS 0.921 1.2 tmtm? -70.58 -24.92 62.86 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 170.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -31.41 26.34 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 119.486 3.143 . . . . 0.0 119.486 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.329 65.9 mtm -110.68 8.36 22.61 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.306 -1.496 . . . . 0.0 111.372 172.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 10.4 tttp -72.33 -36.92 68.97 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.823 1.649 . . . . 0.0 109.95 170.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 127.144 2.178 . . . . 0.0 115.333 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.338 5.2 p -71.82 -30.66 38.43 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 127.434 2.294 . . . . 0.0 111.379 172.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 24' ' ' ILE . 72.4 t-105 -51.8 -36.42 47.67 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 125.793 1.637 . . . . 0.0 115.139 174.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.98 -41.72 71.53 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 127.651 2.38 . . . . 0.0 113.927 171.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -76.82 -47.85 20.22 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 127.093 2.157 . . . . 0.0 113.287 169.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 67' ' ' TRP . . . -56.76 -32.6 65.77 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.339 2.256 . . . . 0.0 115.882 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 67' ' ' TRP . 70.5 t -58.3 -32.51 45.06 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 C-N-CA 129.531 3.133 . . . . 0.0 113.998 173.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.33 -43.57 88.31 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 127.72 2.408 . . . . 0.0 112.335 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.86 -48.13 66.99 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 129.58 3.152 . . . . 0.0 114.107 171.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.3 -53.92 36.78 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.013 -1.679 . . . . 0.0 114.736 172.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.06 -20.46 64.97 Favored 'General case' 0 C--N 1.372 1.577 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 6.45 17.49 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 125.361 1.464 . . . . 0.0 114.011 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -140.56 -41.58 0.41 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.234 1.813 . . . . 0.0 109.473 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -106.37 -127.16 0.25 Allowed 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.661 -1.274 . . . . 0.0 112.834 -177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . 0.379 97.4 p 121.92 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.94 0 C-N-CA 130.912 3.685 . . . . 0.0 110.661 -177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 76.39 -66.07 0.28 Allowed 'General case' 0 C--N 1.371 1.54 0 C-N-CA 128.714 2.806 . . . . 0.0 109.339 -171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.846 HG22 ' HB2' ' A' ' 98' ' ' TRP 0.266 85.4 t -78.38 119.14 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.766 0 C-N-CA 125.295 1.438 . . . . 0.0 108.025 177.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -93.2 135.88 33.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.965 3.706 . . . . 0.0 113.647 -171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 113.07 22.34 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 127.366 2.266 . . . . 0.0 111.021 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -138.04 143.47 40.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.895 -1.128 . . . . 0.0 110.724 -173.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.27 110.6 21.35 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 124.892 1.277 . . . . 0.0 108.707 176.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -137.86 159.72 41.24 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -90.5 114.17 26.3 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.26 124.22 25.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 O-C-N 121.17 -0.956 . . . . 0.0 109.15 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.63 19.65 79.73 Favored Glycine 0 N--CA 1.498 2.774 0 C-N-CA 125.062 1.315 . . . . 0.0 112.327 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.37 71.15 Favored Glycine 0 C--N 1.359 1.806 0 C-N-CA 125.78 1.657 . . . . 0.0 114.787 -172.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.81 144.82 39.5 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 120.299 2.049 . . . . 0.0 111.2 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -85.62 108.32 17.93 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 128.689 2.795 . . . . 0.0 110.776 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.54 156.26 34.54 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.54 109.01 19.31 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 102.767 -3.049 . . . . 0.0 102.767 172.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.4 p -118.85 148.08 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -167.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.409 ' CZ3' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.47 129.23 48.91 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -177.259 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -144.3 149.91 37.0 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.45 -2.031 . . . . 0.0 110.237 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.846 ' HB2' HG22 ' A' ' 81' ' ' VAL 0.297 64.4 t-105 -123.2 145.59 48.51 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.19 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 99' ' ' ILE 0.285 0.1 OUTLIER -124.15 106.3 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 1 C-N-CA 132.026 4.13 . . . . 0.0 107.939 -172.967 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.523 ' HG3' ' HA ' ' A' ' 36' ' ' GLN . 18.8 tm0? -90.18 124.22 63.77 Favored Pre-proline 0 CA--C 1.558 1.264 0 O-C-N 119.231 -2.168 . . . . 0.0 110.569 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -71.17 129.01 15.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 CA-C-N 125.233 2.904 . . . . 0.0 117.557 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.312 1.5 t 72.59 -36.82 0.37 Allowed 'General case' 0 C--N 1.356 0.884 0 C-N-CA 128.687 2.795 . . . . 0.0 117.983 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 68.5 -54.57 0.53 Allowed 'General case' 0 C--N 1.372 1.549 0 C-N-CA 128.247 2.619 . . . . 0.0 116.684 177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.8 m -89.01 26.67 1.51 Allowed 'General case' 0 C--N 1.346 0.445 0 C-N-CA 130.322 3.449 . . . . 0.0 112.706 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.4 p -84.95 -36.0 21.69 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 128.142 2.577 . . . . 0.0 113.962 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 80.29 63.13 0.02 OUTLIER 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.3 3.04 . . . . 0.0 112.112 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -78.62 -36.49 44.02 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 -172.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 tp -52.02 -61.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.366 1.324 0 C-N-CA 128.674 2.79 . . . . 0.0 117.841 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.04 128.57 0.73 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 177.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.0 -2.45 6.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.401 0 CA-C-O 124.285 1.993 . . . . 0.0 113.963 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.8 104.17 42.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -90.62 0.1 5.15 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.964 3.109 . . . . 0.0 112.89 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . 0.337 84.6 p 89.34 -51.88 0.02 OUTLIER 'General case' 0 C--N 1.364 1.238 0 C-N-CA 129.11 2.964 . . . . 0.0 113.985 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -158.26 -178.51 7.34 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.94 117.17 54.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.357 1.463 . . . . 0.0 108.664 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -80.17 60.96 3.84 Favored 'General case' 0 C--N 1.364 1.205 0 C-N-CA 126.65 1.98 . . . . 0.0 113.386 -176.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . 0.276 21.6 mt-30 77.14 -44.05 0.44 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 127.993 2.517 . . . . 0.0 115.094 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.72 -54.09 0.04 OUTLIER Glycine 0 C--N 1.358 1.79 0 O-C-N 121.169 -0.957 . . . . 0.0 114.822 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.486 HE21 ' CE1' ' A' ' 122' ' ' HIS . 2.2 pp0? -118.12 -132.65 0.32 Allowed 'General case' 0 C--N 1.361 1.082 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -172.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -110.31 -99.27 0.4 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 126.068 1.747 . . . . 0.0 113.873 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -95.37 149.8 20.98 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.486 ' CE1' HE21 ' A' ' 119' ' ' GLN . 89.3 m-70 -139.92 43.94 1.93 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 127.119 2.168 . . . . 0.0 108.945 177.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -102.06 -70.96 0.73 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 125.275 1.43 . . . . 0.0 110.51 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -109.54 48.56 0.87 Allowed 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.081 1.352 . . . . 0.0 109.643 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -136.08 125.63 25.24 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.018 1.327 . . . . 0.0 108.193 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -143.93 171.22 14.54 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.712 2.005 . . . . 0.0 106.196 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.1 tp -96.84 55.81 1.4 Allowed 'General case' 0 C--N 1.361 1.098 0 CA-C-O 123.05 1.405 . . . . 0.0 111.687 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -153.71 171.13 19.33 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 101.837 -3.394 . . . . 0.0 101.837 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -106.74 151.92 40.66 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-O 117.321 -1.323 . . . . 0.0 108.699 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.95 69.59 6.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 124.778 3.652 . . . . 0.0 114.037 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -164.41 171.66 14.42 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -89.71 60.16 4.95 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 126.55 1.94 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.354 0.788 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 -178.529 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.152 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -174.79 157.31 2.21 Favored Pre-proline 0 C--N 1.348 0.513 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -81.19 169.72 15.67 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.469 3.446 . . . . 0.0 114.272 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -89.05 -36.81 15.57 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.291 2.236 . . . . 0.0 114.48 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.258 17.0 t80 75.75 42.03 0.23 Allowed 'General case' 0 C--N 1.361 1.1 0 C-N-CA 128.642 2.777 . . . . 0.0 113.901 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -95.56 71.38 3.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.774 2.226 . . . . 0.0 112.689 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -136.65 0.14 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.985 2.914 . . . . 0.0 112.777 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -99.93 -42.79 6.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 119.852 -1.78 . . . . 0.0 111.121 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.388 42.6 mttp -71.22 -28.36 64.14 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 120.572 3.545 . . . . 0.0 120.572 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -55.49 -15.09 2.39 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.65 -29.03 45.53 Favored 'General case' 0 C--N 1.36 1.025 1 C-N-CA 134.23 5.012 . . . . 0.0 113.206 172.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -71.6 -38.85 70.8 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.814 1.646 . . . . 0.0 112.367 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -58.19 -46.77 85.22 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 130.786 3.635 . . . . 0.0 119.867 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -69.57 -28.92 66.39 Favored 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 135.669 5.588 . . . . 0.0 110.219 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -87.79 136.98 32.72 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.586 2.754 . . . . 0.0 110.972 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 103.35 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.848 2.859 . . . . 0.0 108.456 -175.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -65.39 -36.07 82.86 Favored 'General case' 0 C--N 1.364 1.215 1 C-N-CA 133.119 4.568 . . . . 0.0 117.049 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -53.19 -17.33 1.6 Allowed 'General case' 0 C--N 1.37 1.468 1 C-N-CA 131.853 4.061 . . . . 0.0 117.539 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -105.09 -62.91 1.28 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.61 1.964 . . . . 0.0 110.024 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -55.95 -31.77 63.24 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 128.56 2.744 . . . . 0.0 118.099 -177.068 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 70' ' ' ALA 0.423 4.6 m -74.81 -31.55 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 169.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.01 -35.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.368 1.389 0 C-N-CA 126.656 1.982 . . . . 0.0 115.822 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -24.32 58.85 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.374 -2.079 . . . . 0.0 115.18 166.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 27' ' ' VAL 0.286 0.5 OUTLIER -76.35 -39.73 34.6 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 C-N-CA 125.407 1.483 . . . . 0.0 113.414 176.6 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.353 6.8 pt -52.98 -29.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 C-N-CA 126.923 2.089 . . . . 0.0 114.159 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.84 -31.63 69.92 Favored 'General case' 0 C--N 1.368 1.395 0 C-N-CA 127.769 2.428 . . . . 0.0 116.476 167.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 28' ' ' LEU 0.287 4.5 m -68.27 -52.52 36.88 Favored 'Isoleucine or valine' 0 C--N 1.386 2.164 0 C-N-CA 127.542 2.337 . . . . 0.0 112.112 176.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -66.46 -51.95 51.46 Favored 'General case' 0 C--N 1.373 1.614 0 C-N-CA 127.518 2.327 . . . . 0.0 112.97 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' ASN . 73.1 ttt-85 -53.95 -29.0 40.75 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.2 t -76.0 -51.55 12.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.717 3.207 . . . . 0.0 111.302 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' CYS 0.382 23.1 p80 -70.25 -31.18 68.45 Favored 'General case' 0 C--N 1.372 1.565 0 C-N-CA 124.52 1.128 . . . . 0.0 111.022 167.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-80 -64.87 -43.62 92.37 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 173.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -67.07 -36.36 81.86 Favored 'General case' 0 C--N 1.37 1.474 0 CA-C-O 123.512 1.625 . . . . 0.0 113.369 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.22 -27.24 60.69 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 128.896 2.878 . . . . 0.0 116.455 167.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' HIS 0.36 11.6 t -77.95 -30.52 50.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.492 2.317 . . . . 0.0 113.749 -174.353 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.305 3.4 pp0? -61.62 -11.59 12.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 119.547 -1.97 . . . . 0.0 114.701 172.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -112.75 -46.64 3.12 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 130.652 3.581 . . . . 0.0 110.005 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -111.32 111.01 21.76 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 126.46 1.904 . . . . 0.0 107.644 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -29.51 -48.5 0.08 Allowed 'General case' 0 C--N 1.343 0.303 1 C-N-CA 132.768 4.427 . . . . 0.0 117.647 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.42 85.24 1.19 Allowed 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 131.613 3.965 . . . . 0.0 106.704 160.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -60.92 -20.21 61.77 Favored 'General case' 0 C--N 1.388 2.254 0 CA-C-N 125.364 3.711 . . . . 0.0 118.53 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -100.1 37.06 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.032 1 C-N-CA 139.921 7.288 . . . . 0.0 111.854 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -48.06 -25.32 6.41 Favored 'Trans proline' 0 C--N 1.4 3.278 1 C-N-CA 129.739 6.959 . . . . 0.0 116.109 -159.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -160.89 156.14 24.55 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 130.621 3.568 . . . . 0.0 103.983 173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.83 151.22 21.47 Favored Pre-proline 0 C--N 1.358 0.96 0 C-N-CA 129.589 3.156 . . . . 0.0 107.716 176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.95 178.19 7.95 Favored 'Trans proline' 0 C--N 1.368 1.56 0 CA-C-N 124.771 2.74 . . . . 0.0 109.53 170.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.35 1.4 mt -63.38 -50.93 71.56 Favored Pre-proline 0 C--N 1.364 1.217 0 O-C-N 119.347 -2.095 . . . . 0.0 110.148 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 1.046 9.5 Cg_endo -49.79 -15.38 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.175 1 C-N-CA 128.107 5.871 . . . . 0.0 122.362 163.08 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.08 -47.95 81.64 Favored 'General case' 0 N--CA 1.515 2.795 1 CA-C-N 128.259 5.027 . . . . 0.0 111.619 172.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . 0.251 0.3 OUTLIER -76.46 -51.71 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 130.877 3.671 . . . . 0.0 110.215 170.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -73.54 -20.47 60.64 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 127.764 2.426 . . . . 0.0 116.917 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.97 -14.11 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 117.221 -3.424 . . . . 0.0 114.762 164.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -84.64 -16.87 40.45 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -164.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' H ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -67.27 -16.36 64.24 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 129.236 3.014 . . . . 0.0 113.845 -169.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -150.38 156.18 6.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 103.328 -2.842 . . . . 0.0 103.328 172.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -90.43 -46.36 0.39 Allowed Pre-proline 0 CA--C 1.562 1.441 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -137.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 124.686 3.59 . . . . 0.0 113.473 -166.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -61.65 -27.8 68.93 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 130.892 3.677 . . . . 0.0 114.746 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -89.41 3.7 51.44 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 127.506 2.322 . . . . 0.0 112.063 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' HB ' ' A' ' 55' ' ' ILE 0.257 0.3 OUTLIER -45.75 -45.85 14.76 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.627 2.771 . . . . 0.0 116.131 178.296 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.869 0.0 OUTLIER -70.51 -25.38 63.11 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 169.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -53.37 -19.62 3.63 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' HD11 ' A' ' 55' ' ' ILE 0.546 39.5 mtm -114.82 3.57 14.67 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 120.52 -1.362 . . . . 0.0 112.232 169.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -71.83 -37.36 70.32 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 126.362 1.865 . . . . 0.0 109.891 172.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.38 97.87 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.416 2.3 p -73.05 -30.88 33.16 Favored 'Isoleucine or valine' 0 C--N 1.38 1.893 0 C-N-CA 126.993 2.117 . . . . 0.0 111.062 172.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -51.81 -35.26 43.62 Favored 'General case' 0 C--N 1.371 1.527 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.96 -39.2 77.54 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 127.136 2.174 . . . . 0.0 114.354 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -44.25 35.0 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 127.9 2.48 . . . . 0.0 112.667 170.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -65.8 -32.44 73.97 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 127.454 2.302 . . . . 0.0 115.147 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.73 -42.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 130.006 3.322 . . . . 0.0 112.416 168.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.08 -48.82 80.2 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.04 2.136 . . . . 0.0 113.86 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.4 6.7 t80 -72.61 -46.17 55.44 Favored 'General case' 0 C--N 1.376 1.756 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 167.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.13 -45.47 88.42 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 122.585 2.448 . . . . 0.0 115.994 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.7 56.56 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.75 7.34 46.82 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.669 2.788 . . . . 0.0 111.442 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.44 -47.46 1.08 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 127.219 2.208 . . . . 0.0 108.308 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -108.2 55.49 0.64 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.739 1.615 . . . . 0.0 109.849 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -78.15 46.87 0.63 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 129.123 2.969 . . . . 0.0 115.043 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -109.47 -31.54 7.48 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.076 1.35 . . . . 0.0 112.047 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.551 HG23 ' CE3' ' A' ' 98' ' ' TRP . 0.5 OUTLIER -71.34 166.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.656 0 CA-C-N 120.937 1.699 . . . . 0.0 114.024 173.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -129.54 145.71 51.43 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 120.364 -1.46 . . . . 0.0 112.39 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.2 m -109.06 124.43 50.73 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 127.201 2.2 . . . . 0.0 108.18 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -127.51 150.93 49.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.654 -1.278 . . . . 0.0 108.457 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -97.1 110.01 22.64 Favored 'General case' 0 C--N 1.365 1.248 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.0 145.5 39.74 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -169.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.4 120.14 26.53 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 127.289 2.236 . . . . 0.0 112.563 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.64 120.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 O-C-N 120.518 -1.364 . . . . 0.0 107.675 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.37 24.57 70.82 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.32 1.438 . . . . 0.0 114.697 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.08 2.38 66.38 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.417 -1.213 . . . . 0.0 115.205 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -132.21 137.39 47.56 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 121.364 2.582 . . . . 0.0 110.171 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.57 119.71 35.54 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.897 2.079 . . . . 0.0 111.874 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -127.09 176.53 7.29 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.93 108.38 19.53 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 138.83 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 102.893 -3.003 . . . . 0.0 102.893 -177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.96 158.92 15.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' VAL . 14.0 ptm180 -156.09 140.54 16.77 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 176.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CE3' HG23 ' A' ' 81' ' ' VAL . 5.3 t-105 -105.34 120.09 40.7 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.979 1.311 . . . . 0.0 110.274 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.77 146.48 22.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 130.064 3.346 . . . . 0.0 110.028 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -138.09 103.92 8.09 Favored Pre-proline 0 C--N 1.359 1.017 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.486 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -67.3 144.59 68.84 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 124.335 3.356 . . . . 0.0 115.948 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.337 64.8 p 80.63 23.98 0.35 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 117.851 2.538 . . . . 0.0 117.851 173.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.13 61.88 0.63 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . 0.354 85.3 p 97.45 -58.08 0.0 OUTLIER 'General case' 0 C--N 1.36 1.056 0 C-N-CA 130.071 3.348 . . . . 0.0 115.592 175.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.1 t -44.03 -61.29 1.51 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 120.976 3.695 . . . . 0.0 120.976 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -149.32 150.8 33.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.336 . . . . 0.0 107.939 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.273 53.3 tptt 110.65 102.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.801 3.241 . . . . 0.0 112.26 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.73 89.43 2.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 C-N-CA 125.854 1.662 . . . . 0.0 109.836 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.54 88.13 4.5 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -109.52 6.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 C-N-CA 127.625 2.37 . . . . 0.0 106.882 170.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 26.9 mm -111.63 121.08 40.92 Favored Pre-proline 0 C--N 1.359 0.98 0 C-N-CA 129.485 3.114 . . . . 0.0 105.628 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -82.8 164.94 15.74 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.921 3.081 . . . . 0.0 113.548 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -148.09 -89.36 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.125 0.97 . . . . 0.0 110.091 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -124.58 124.02 41.34 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.247 1.419 . . . . 0.0 108.931 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 m -95.21 -29.6 4.05 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 125.78 1.632 . . . . 0.0 114.299 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.7 m95 65.15 35.75 7.68 Favored 'General case' 0 C--N 1.37 1.495 0 C-N-CA 127.828 2.451 . . . . 0.0 115.024 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 83.33 -55.11 0.16 Allowed 'General case' 0 C--N 1.369 1.439 0 C-N-CA 129.312 3.045 . . . . 0.0 109.35 -171.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.47 160.73 28.49 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 173.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -87.68 47.71 1.54 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 127.678 2.391 . . . . 0.0 112.836 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 76.43 46.62 0.09 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 127.459 2.304 . . . . 0.0 110.262 -171.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.262 81.5 m-85 74.83 -102.59 0.02 OUTLIER 'General case' 0 C--N 1.37 1.494 0 C-N-CA 128.535 2.734 . . . . 0.0 111.145 -176.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -98.42 -14.98 19.83 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.806 1.642 . . . . 0.0 112.58 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.27 2.8 tt 81.82 122.34 0.04 OUTLIER 'General case' 0 C--N 1.371 1.517 0 C-N-CA 129.24 3.016 . . . . 0.0 110.642 -174.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -99.92 134.39 42.9 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 119.336 -2.102 . . . . 0.0 112.333 -175.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.53 155.17 40.79 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.606 -1.998 . . . . 0.0 105.606 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.24 -14.51 20.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.857 1.263 . . . . 0.0 114.033 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.3 mt 65.53 -53.77 0.35 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.92 2.888 . . . . 0.0 117.214 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 81.93 -54.1 0.25 Allowed 'General case' 0 C--N 1.363 1.174 0 C-N-CA 129.159 2.984 . . . . 0.0 112.391 -175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -97.19 120.03 62.01 Favored Pre-proline 0 C--N 1.358 0.957 0 C-N-CA 128.803 2.841 . . . . 0.0 107.685 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.48 110.42 2.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.418 3.412 . . . . 0.0 116.218 -167.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -131.85 57.15 1.78 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -79.12 65.33 4.27 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.359 2.264 . . . . 0.0 114.725 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.362 1.126 0 C-N-CA 128.555 2.742 . . . . 0.0 113.338 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 179.89 80.63 0.19 Allowed Pre-proline 0 C--N 1.345 0.402 0 C-N-CA 128.206 2.602 . . . . 0.0 107.559 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -80.78 -177.95 4.09 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.343 3.362 . . . . 0.0 113.962 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 82.38 161.94 0.14 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.594 2.758 . . . . 0.0 115.19 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -132.3 63.72 1.62 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 125.184 1.394 . . . . 0.0 107.862 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -85.66 48.25 1.56 Allowed 'General case' 0 C--N 1.361 1.067 0 CA-C-O 124.215 1.96 . . . . 0.0 112.225 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -107.87 166.73 10.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 130.065 3.346 . . . . 0.0 112.391 -175.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -20.13 65.9 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 128.648 2.779 . . . . 0.0 117.138 -177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.508 2.3 mptt -70.44 -25.41 63.19 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 130.231 3.413 . . . . 0.0 113.541 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.25 1.8 pt-20 -55.0 -14.69 1.59 Allowed 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.74 2.816 . . . . 0.0 115.128 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.84 -30.58 70.94 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 128.863 2.865 . . . . 0.0 113.304 168.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.81 -38.22 73.29 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.829 1.652 . . . . 0.0 111.641 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.03 -46.03 62.82 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.116 2.166 . . . . 0.0 116.241 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p -78.45 -52.9 7.87 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 128.418 2.687 . . . . 0.0 117.551 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -69.81 62.32 0.18 Allowed 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -170.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -166.11 -45.54 0.03 OUTLIER 'General case' 0 C--N 1.346 0.447 0 C-N-CA 127.562 2.345 . . . . 0.0 106.5 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 mtm -58.74 -35.1 72.17 Favored 'General case' 0 C--N 1.358 0.948 1 C-N-CA 132.119 4.167 . . . . 0.0 117.964 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 73' ' ' PHE 0.414 3.2 m-30 -63.86 -17.86 63.59 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 172.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -72.96 -50.14 25.12 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.473 1.509 . . . . 0.0 112.33 170.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -30.82 65.04 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 123.361 1.553 . . . . 0.0 113.452 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.457 0.5 OUTLIER -74.55 -31.56 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.275 1.43 . . . . 0.0 113.988 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.291 0.3 OUTLIER -52.03 -33.73 16.63 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 C-N-CA 126.675 1.99 . . . . 0.0 115.583 179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -32.74 64.27 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 168.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.622 HG21 ' CZ3' ' A' ' 67' ' ' TRP 0.306 6.3 mt -76.2 -42.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.362 1.12 0 C-N-CA 127.563 2.345 . . . . 0.0 113.092 177.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.343 27.3 pt -65.31 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.37 1.495 0 C-N-CA 125.697 1.599 . . . . 0.0 111.783 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.99 -46.13 62.83 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 125.316 1.446 . . . . 0.0 112.077 167.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 50' ' ' VAL . 5.7 t -57.81 -54.88 25.75 Favored 'Isoleucine or valine' 0 C--N 1.377 1.792 0 C-N-CA 127.607 2.363 . . . . 0.0 112.127 172.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 31' ' ' HIS 0.302 7.3 tt -69.69 -48.77 58.46 Favored 'General case' 0 C--N 1.37 1.466 0 C-N-CA 130.762 3.625 . . . . 0.0 117.237 -174.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.25 -27.22 65.25 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-N 121.09 1.768 . . . . 0.0 115.763 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -74.73 -51.28 14.66 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 130.234 3.414 . . . . 0.0 114.323 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' LEU . 10.7 p80 -63.51 -31.96 73.28 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 125.419 2.533 . . . . 0.0 112.722 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.296 0.0 OUTLIER -71.04 -37.49 72.55 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 131.062 3.745 . . . . 0.0 112.261 173.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.34 -40.04 70.97 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.468 1.907 . . . . 0.0 110.858 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.222 1.809 . . . . 0.0 112.305 175.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 40' ' ' ASP . 2.4 t -58.42 -35.52 72.21 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 129.595 3.158 . . . . 0.0 115.618 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.276 2.4 pp0? -74.22 -13.48 60.79 Favored 'General case' 0 C--N 1.377 1.765 0 CA-C-N 121.835 2.107 . . . . 0.0 114.089 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -20.76 18.34 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.098 2.159 . . . . 0.0 111.221 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -115.58 -175.76 2.78 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 131.541 3.936 . . . . 0.0 104.917 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -70.81 0.65 Allowed 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.31 -1.494 . . . . 0.0 107.627 172.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 20.6 t70 -151.99 88.41 1.39 Allowed 'General case' 0 N--CA 1.444 -0.763 1 N-CA-C 99.856 -4.127 . . . . 0.0 99.856 164.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -55.41 -24.12 28.5 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 118.37 2.729 . . . . 0.0 118.37 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 34.55 0.03 OUTLIER Pre-proline 0 N--CA 1.448 -0.539 2 C-N-CA 135.275 5.43 . . . . 0.0 114.62 178.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -39.73 -36.37 1.19 Allowed 'Trans proline' 0 C--N 1.391 2.8 2 CA-C-N 132.974 5.669 . . . . 0.0 120.127 -140.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.271 94.3 m-85 -159.77 137.1 9.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 100.905 -3.739 . . . . 0.0 100.905 161.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.74 155.44 38.98 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 129.056 2.942 . . . . 0.0 109.916 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -74.17 172.58 15.72 Favored 'Trans proline' 0 CA--C 1.556 1.599 1 CA-C-N 128.422 4.044 . . . . 0.0 112.025 170.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.364 66.1 mt -61.49 -49.37 87.48 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 126.183 1.793 . . . . 0.0 110.488 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . 0.845 1.9 Cg_endo -49.44 -14.96 0.71 Allowed 'Trans proline' 0 CA--C 1.554 1.486 1 C-N-CA 127.121 5.214 . . . . 0.0 120.206 156.189 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.266 2.6 t-80 -55.16 -49.96 70.52 Favored 'General case' 0 N--CA 1.519 3.0 2 CA-C-N 130.584 6.083 . . . . 0.0 113.342 178.218 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' HA ' HG11 ' A' ' 27' ' ' VAL 0.313 0.8 OUTLIER -76.54 -40.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 CA-C-N 114.073 -1.421 . . . . 0.0 111.238 175.592 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 54' ' ' LEU 0.304 24.4 ttt180 -75.85 -21.86 56.8 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.585 3.954 . . . . 0.0 117.254 178.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -78.76 -14.13 59.44 Favored 'General case' 0 N--CA 1.485 1.301 1 O-C-N 115.135 -4.728 . . . . 0.0 114.823 163.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -91.33 -15.98 28.22 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.848 3.259 . . . . 0.0 117.583 -169.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.65 -20.75 66.06 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 130.567 3.547 . . . . 0.0 111.344 -172.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 mp -155.22 135.24 4.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 1 C-N-CA 132.094 4.158 . . . . 0.0 100.761 169.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -87.22 -38.81 0.51 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 120.568 3.544 . . . . 0.0 120.568 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -85.83 -125.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 126.658 3.414 . . . . 0.0 113.428 -171.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -76.2 -27.16 56.75 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 129.216 3.007 . . . . 0.0 116.069 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -87.53 7.06 31.24 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 130.756 3.622 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.704 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -51.03 -59.67 3.91 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.942 2.897 . . . . 0.0 114.892 178.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.704 ' H ' ' HD3' ' A' ' 60' ' ' ARG 0.834 0.6 OUTLIER -60.06 -25.3 65.25 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 127.787 2.435 . . . . 0.0 117.462 -178.346 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -27.52 11.29 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . 0.427 29.3 mtm -110.56 -2.74 16.29 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 170.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 61' ' ' LYS . 13.5 tttm -73.03 -36.53 66.98 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 128.58 2.752 . . . . 0.0 110.022 171.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -69.12 -28.57 66.58 Favored 'General case' 0 C--N 1.367 1.326 0 C-N-CA 125.431 1.493 . . . . 0.0 112.564 172.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.77 -31.92 27.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 129.049 2.939 . . . . 0.0 111.408 173.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.622 ' CZ3' HG21 ' A' ' 24' ' ' ILE . 63.0 t-105 -52.87 -39.72 62.86 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.65 2.78 . . . . 0.0 114.101 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.39 -41.21 68.96 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 130.248 3.419 . . . . 0.0 113.458 173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -77.61 -52.7 8.58 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 128.994 2.918 . . . . 0.0 112.746 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.08 42.91 Favored 'General case' 0 C--N 1.376 1.722 0 C-N-CA 127.981 2.512 . . . . 0.0 117.551 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 t -56.24 -34.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 C-N-CA 130.076 3.35 . . . . 0.0 113.646 168.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . 0.253 38.7 t70 -59.06 -45.22 91.32 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 128.214 2.605 . . . . 0.0 112.86 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CD2' ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -74.21 -45.5 47.85 Favored 'General case' 0 CA--C 1.564 1.517 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 166.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tt -54.49 -43.99 72.28 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 118.791 -2.443 . . . . 0.0 115.04 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.59 -11.72 27.22 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 174.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.4 24.47 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 115.864 1.802 . . . . 0.0 115.864 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.01 35.67 2.14 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 120.446 -1.409 . . . . 0.0 110.98 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -156.95 158.32 36.4 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.803 -1.186 . . . . 0.0 109.385 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.3 m -163.19 73.88 0.34 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.287 9.0 mpt_? -109.3 -120.87 0.27 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.522 -1.704 . . . . 0.0 108.262 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 98' ' ' TRP 0.816 0.7 OUTLIER -66.46 145.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.388 2.267 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 -164.418 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -103.69 154.13 19.88 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.139 2.176 . . . . 0.0 112.636 -165.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -102.82 124.21 47.92 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.87 2.068 . . . . 0.0 109.834 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -138.69 152.7 48.26 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.72 111.27 21.14 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 128.221 2.608 . . . . 0.0 108.405 176.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 -131.43 144.96 51.57 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.978 -1.701 . . . . 0.0 108.518 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -89.79 117.89 28.97 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 125.354 1.462 . . . . 0.0 112.81 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 121.65 33.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.15 22.52 70.85 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 125.563 1.554 . . . . 0.0 114.065 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.17 9.95 75.67 Favored Glycine 0 C--N 1.356 1.675 0 C-N-CA 125.276 1.417 . . . . 0.0 114.971 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -127.15 138.57 53.18 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 120.66 2.23 . . . . 0.0 111.02 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -94.56 109.12 21.05 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 129.981 3.312 . . . . 0.0 110.83 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -119.68 168.27 11.21 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.38 110.46 22.01 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 m -116.19 154.21 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -101.36 132.04 47.12 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.238 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -148.38 168.78 21.71 Favored 'General case' 0 C--N 1.372 1.566 0 O-C-N 118.655 -2.528 . . . . 0.0 112.448 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.467 ' CG ' HG12 ' A' ' 81' ' ' VAL 0.387 1.2 t-105 -120.98 144.98 48.22 Favored 'General case' 0 C--N 1.367 1.364 1 N-CA-C 122.88 4.4 . . . . 0.0 122.88 -174.498 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -119.54 120.25 62.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 C-N-CA 132.41 4.284 . . . . 0.0 104.379 -172.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -101.14 120.25 55.64 Favored Pre-proline 0 CA--C 1.529 0.161 0 O-C-N 119.01 -2.306 . . . . 0.0 110.804 -166.273 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -62.55 150.07 88.86 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 124.924 3.75 . . . . 0.0 114.263 177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.389 52.0 p 82.01 -48.12 0.21 Allowed 'General case' 0 C--N 1.347 0.48 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 177.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -63.38 1.08 Allowed 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.701 3.2 . . . . 0.0 112.731 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.6 m -86.98 8.24 24.09 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.379 -1.45 . . . . 0.0 112.704 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.86 26.83 10.01 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.338 1.855 . . . . 0.0 109.003 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -114.44 121.68 44.28 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . 0.275 45.4 tptt 79.66 4.63 2.07 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 127.316 2.246 . . . . 0.0 114.842 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.7 tp -91.85 163.38 2.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 119.882 -1.761 . . . . 0.0 110.648 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.0 tp -85.59 -51.93 6.15 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.996 1.319 . . . . 0.0 113.069 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . 0.279 21.4 t 81.42 -75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.227 0 C-N-CA 128.886 2.874 . . . . 0.0 108.157 -173.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 17.8 tt -166.37 136.24 2.59 Favored Pre-proline 0 C--N 1.354 0.766 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -84.11 -1.21 9.81 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 CA-C-N 125.434 2.976 . . . . 0.0 113.907 -176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.8 m -87.09 62.92 7.62 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.437 2.295 . . . . 0.0 112.037 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -111.81 95.68 5.63 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 125.875 1.67 . . . . 0.0 107.281 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 115' ' ' VAL . 12.4 m -73.06 82.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.989 2.116 . . . . 0.0 116.326 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -90.71 -7.63 52.03 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 126.183 1.793 . . . . 0.0 112.992 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.45 126.31 22.98 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 129.495 3.118 . . . . 0.0 118.285 -172.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.83 -39.27 1.89 Allowed Glycine 0 C--N 1.36 1.884 0 C-N-CA 125.138 1.351 . . . . 0.0 112.417 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -121.88 114.05 20.49 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.995 1.318 . . . . 0.0 112.873 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.76 59.86 0.66 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.068 1.747 . . . . 0.0 111.674 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 54.88 -101.22 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 129.077 2.951 . . . . 0.0 118.578 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -148.9 37.92 0.81 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 123.86 0.864 . . . . 0.0 111.636 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.6 tp -115.2 -93.87 0.49 Allowed 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.915 -1.116 . . . . 0.0 110.084 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.71 124.67 51.42 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.529 1.932 . . . . 0.0 107.285 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -144.9 168.1 21.06 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.369 -2.456 . . . . 0.0 104.369 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.272 77.0 mtt85 68.4 -98.41 0.04 OUTLIER 'General case' 0 C--N 1.365 1.255 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -145.96 82.22 1.61 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 69.66 -54.07 0.6 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 129.123 2.969 . . . . 0.0 115.456 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -98.07 132.13 25.2 Favored Pre-proline 0 C--N 1.356 0.849 0 C-N-CA 128.316 2.647 . . . . 0.0 107.057 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.6 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 124.597 3.531 . . . . 0.0 109.776 176.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.28 155.93 42.48 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 101.056 -3.683 . . . . 0.0 101.056 175.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -160.65 158.44 28.87 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.357 0.895 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.991 . . . . . . . . 1 1 . 1 stop_ save_